(2S,4R)-N-cyclobutyl-4-hydroxy-1-methylpyrrolidine-2-carboxamide;2-cyclopropyl-1-[(3R)-1-methylpyrrolidin-3-yl]ethanone;3,3-difluoro-1-methylpyrrolidine;1,6-dimethyl-5,7-dihydro-4H-pyrazolo[5,4-c]pyridine;2-(2-methoxyethyl)-1,4-dimethylpiperazine;1-(1-methoxy-2-methylpropan-2-yl)-4-methylpiperazine;1-(1-methoxypropan-2-yl)-4-methylpiperazine;2-methyl-1,3,4,7,8,8a-hexahydropyrrolo[1,2-a]pyrazin-6-one;7-methyl-6,8-dihydro-5H-imidazo[1,2-a]pyrazine;7-methyl-6,8-dihydro-5H-[1,2,4]triazolo[4,3-a]pyrazine;2-methyl-2-(4-methylpiperazin-1-yl)propan-1-ol;5-(4-methylpiperazin-1-yl)pentan-2-one;1-[(3R)-1-methylpyrrolidin-3-yl]propan-2-one;1-methyl-4-(thiophen-2-ylmethyl)piperazine

C119H225F2N29O10S — CID 159644323

About (2S,4R)-N-cyclobutyl-4-hydroxy-1-methylpyrrolidine-2-carboxamide;2-cyclopropyl-1-[(3R)-1-methylpyrrolidin-3-yl]ethanone;3,3-difluoro-1-methylpyrrolidine;1,6-dimethyl-5,7-dihydro-4H-pyrazolo[5,4-c]pyridine;2-(2-methoxyethyl)-1,4-dimethylpiperazine;1-(1-methoxy-2-methylpropan-2-yl)-4-methylpiperazine;1-(1-methoxypropan-2-yl)-4-methylpiperazine;2-methyl-1,3,4,7,8,8a-hexahydropyrrolo[1,2-a]pyrazin-6-one;7-methyl-6,8-dihydro-5H-imidazo[1,2-a]pyrazine;7-methyl-6,8-dihydro-5H-[1,2,4]triazolo[4,3-a]pyrazine;2-methyl-2-(4-methylpiperazin-1-yl)propan-1-ol;5-(4-methylpiperazin-1-yl)pentan-2-one;1-[(3R)-1-methylpyrrolidin-3-yl]propan-2-one;1-methyl-4-(thiophen-2-ylmethyl)piperazine

(2S,4R)-N-cyclobutyl-4-hydroxy-1-methylpyrrolidine-2-carboxamide;2-cyclopropyl-1-[(3R)-1-methylpyrrolidin-3-yl]ethanone;3,3-difluoro-1-methylpyrrolidine;1,6-dimethyl-5,7-dihydro-4H-pyrazolo[5,4-c]pyridine;2-(2-methoxyethyl)-1,4-dimethylpiperazine;1-(1-methoxy-2-methylpropan-2-yl)-4-methylpiperazine;1-(1-methoxypropan-2-yl)-4-methylpiperazine;2-methyl-1,3,4,7,8,8a-hexahydropyrrolo[1,2-a]pyrazin-6-one;7-methyl-6,8-dihydro-5H-imidazo[1,2-a]pyrazine;7-methyl-6,8-dihydro-5H-[1,2,4]triazolo[4,3-a]pyrazine;2-methyl-2-(4-methylpiperazin-1-yl)propan-1-ol;5-(4-methylpiperazin-1-yl)pentan-2-one;1-[(3R)-1-methylpyrrolidin-3-yl]propan-2-one;1-methyl-4-(thiophen-2-ylmethyl)piperazine (PubChem CID 159644323) has the molecular formula C119H225F2N29O10S and a molecular weight of 2292.36 g/mol. Its IUPAC name is (2S,4R)-N-cyclobutyl-4-hydroxy-1-methylpyrrolidine-2-carboxamide;2-cyclopropyl-1-[(3R)-1-methylpyrrolidin-3-yl]ethanone;3,3-difluoro-1-methylpyrrolidine;1,6-dimethyl-5,7-dihydro-4H-pyrazolo[5,4-c]pyridine;2-(2-methoxyethyl)-1,4-dimethylpiperazine;1-(1-methoxy-2-methylpropan-2-yl)-4-methylpiperazine;1-(1-methoxypropan-2-yl)-4-methylpiperazine;2-methyl-1,3,4,7,8,8a-hexahydropyrrolo[1,2-a]pyrazin-6-one;7-methyl-6,8-dihydro-5H-imidazo[1,2-a]pyrazine;7-methyl-6,8-dihydro-5H-[1,2,4]triazolo[4,3-a]pyrazine;2-methyl-2-(4-methylpiperazin-1-yl)propan-1-ol;5-(4-methylpiperazin-1-yl)pentan-2-one;1-[(3R)-1-methylpyrrolidin-3-yl]propan-2-one;1-methyl-4-(thiophen-2-ylmethyl)piperazine.

Molecular Properties

• Compound Name: (2S,4R)-N-cyclobutyl-4-hydroxy-1-methylpyrrolidine-2-carboxamide;2-cyclopropyl-1-[(3R)-1-methylpyrrolidin-3-yl]ethanone;3,3-difluoro-1-methylpyrrolidine;1,6-dimethyl-5,7-dihydro-4H-pyrazolo[5,4-c]pyridine;2-(2-methoxyethyl)-1,4-dimethylpiperazine;1-(1-methoxy-2-methylpropan-2-yl)-4-methylpiperazine;1-(1-methoxypropan-2-yl)-4-methylpiperazine;2-methyl-1,3,4,7,8,8a-hexahydropyrrolo[1,2-a]pyrazin-6-one;7-methyl-6,8-dihydro-5H-imidazo[1,2-a]pyrazine;7-methyl-6,8-dihydro-5H-[1,2,4]triazolo[4,3-a]pyrazine;2-methyl-2-(4-methylpiperazin-1-yl)propan-1-ol;5-(4-methylpiperazin-1-yl)pentan-2-one;1-[(3R)-1-methylpyrrolidin-3-yl]propan-2-one;1-methyl-4-(thiophen-2-ylmethyl)piperazine
• PubChem CID: 159644323
• Molecular Formula: C119H225F2N29O10S
• Molecular Weight: 2292.36 g/mol
• Exact Mass: 2290.77
• IUPAC Name: (2S,4R)-N-cyclobutyl-4-hydroxy-1-methylpyrrolidine-2-carboxamide;2-cyclopropyl-1-[(3R)-1-methylpyrrolidin-3-yl]ethanone;3,3-difluoro-1-methylpyrrolidine;1,6-dimethyl-5,7-dihydro-4H-pyrazolo[5,4-c]pyridine;2-(2-methoxyethyl)-1,4-dimethylpiperazine;1-(1-methoxy-2-methylpropan-2-yl)-4-methylpiperazine;1-(1-methoxypropan-2-yl)-4-methylpiperazine;2-methyl-1,3,4,7,8,8a-hexahydropyrrolo[1,2-a]pyrazin-6-one;7-methyl-6,8-dihydro-5H-imidazo[1,2-a]pyrazine;7-methyl-6,8-dihydro-5H-[1,2,4]triazolo[4,3-a]pyrazine;2-methyl-2-(4-methylpiperazin-1-yl)propan-1-ol;5-(4-methylpiperazin-1-yl)pentan-2-one;1-[(3R)-1-methylpyrrolidin-3-yl]propan-2-one;1-methyl-4-(thiophen-2-ylmethyl)piperazine
• SMILES: CC(=O)CCCN1CCN(C)CC1.CC(=O)C[C@H]1CCN(C)C1.CN1CCC(F)(F)C1.CN1CCN(C(C)(C)CO)CC1.CN1CCN(Cc2cccs2)CC1.CN1CCN2C(=O)CCC2C1.CN1CC[C@@H](C(=O)CC2CC2)C1.CN1CCc2cnn(C)c2C1.CN1CCn2ccnc2C1.CN1CCn2cnnc2C1.CN1C[C@H](O)C[C@H]1C(=O)NC1CCC1.COCC(C)(C)N1CCN(C)CC1.COCC(C)N1CCN(C)CC1.COCCC1CN(C)CCN1C
• InChI: InChI=1S/C10H18N2O2.C10H22N2O.C10H20N2O.C10H16N2S.C10H17NO.3C9H20N2O.C8H13N3.C8H14N2O.C8H15NO.C7H11N3.C6H10N4.C5H9F2N/c1-12-6-8(13)5-9(12)10(14)11-7-3-2-4-7;1-10(2,9-13-4)12-7-5-11(3)6-8-12;1-10(13)4-3-5-12-8-6-11(2)7-9-12;1-11-4-6-12(7-5-11)9-10-3-2-8-13-10;1-11-5-4-9(7-11)10(12)6-8-2-3-8;1-10-5-6-11(2)9(8-10)4-7-12-3;1-9(8-12-3)11-6-4-10(2)5-7-11;1-9(2,8-12)11-6-4-10(3)5-7-11;1-10-4-3-7-5-9-11(2)8(7)6-10;1-9-4-5-10-7(6-9)2-3-8(10)11;1-7(10)5-8-3-4-9(2)6-8;1-9-4-5-10-3-2-8-7(10)6-9;1-9-2-3-10-5-7-8-6(10)4-9;1-8-3-2-5(6,7)4-8/h7-9,13H,2-6H2,1H3,(H,11,14);5-9H2,1-4H3;3-9H2,1-2H3;2-3,8H,4-7,9H2,1H3;8-9H,2-7H2,1H3;2*9H,4-8H2,1-3H3;12H,4-8H2,1-3H3;5H,3-4,6H2,1-2H3;7H,2-6H2,1H3;8H,3-6H2,1-2H3;2-3H,4-6H2,1H3;5H,2-4H2,1H3;2-4H2,1H3/t8-,9+;;;;9-;;;;;;8-;;;/m1...1.....1.../s1
• InChIKey: MQTKQJURJJGKRS-RZMRIROWSA-N
• XLogP: 6.58
• TPSA: 299.92 Ų
• H-Bond Donors: 3
• H-Bond Acceptors: 38
• Rotatable Bonds: 24
• Heavy Atoms: 161
• Complexity: —

Lipinski Rule of Five

3 violations

Rule	Value
MW ≤ 500	2292.36
LogP ≤ 5	6.58
H-Bond Donors ≤ 5	3
H-Bond Acceptors ≤ 10	38

Frequently Asked Questions

What is the IUPAC name of (2S,4R)-N-cyclobutyl-4-hydroxy-1-methylpyrrolidine-2-carboxamide;2-cyclopropyl-1-[(3R)-1-methylpyrrolidin-3-yl]ethanone;3,3-difluoro-1-methylpyrrolidine;1,6-dimethyl-5,7-dihydro-4H-pyrazolo[5,4-c]pyridine;2-(2-methoxyethyl)-1,4-dimethylpiperazine;1-(1-methoxy-2-methylpropan-2-yl)-4-methylpiperazine;1-(1-methoxypropan-2-yl)-4-methylpiperazine;2-methyl-1,3,4,7,8,8a-hexahydropyrrolo[1,2-a]pyrazin-6-one;7-methyl-6,8-dihydro-5H-imidazo[1,2-a]pyrazine;7-methyl-6,8-dihydro-5H-[1,2,4]triazolo[4,3-a]pyrazine;2-methyl-2-(4-methylpiperazin-1-yl)propan-1-ol;5-(4-methylpiperazin-1-yl)pentan-2-one;1-[(3R)-1-methylpyrrolidin-3-yl]propan-2-one;1-methyl-4-(thiophen-2-ylmethyl)piperazine?

The IUPAC name of (2S,4R)-N-cyclobutyl-4-hydroxy-1-methylpyrrolidine-2-carboxamide;2-cyclopropyl-1-[(3R)-1-methylpyrrolidin-3-yl]ethanone;3,3-difluoro-1-methylpyrrolidine;1,6-dimethyl-5,7-dihydro-4H-pyrazolo[5,4-c]pyridine;2-(2-methoxyethyl)-1,4-dimethylpiperazine;1-(1-methoxy-2-methylpropan-2-yl)-4-methylpiperazine;1-(1-methoxypropan-2-yl)-4-methylpiperazine;2-methyl-1,3,4,7,8,8a-hexahydropyrrolo[1,2-a]pyrazin-6-one;7-methyl-6,8-dihydro-5H-imidazo[1,2-a]pyrazine;7-methyl-6,8-dihydro-5H-[1,2,4]triazolo[4,3-a]pyrazine;2-methyl-2-(4-methylpiperazin-1-yl)propan-1-ol;5-(4-methylpiperazin-1-yl)pentan-2-one;1-[(3R)-1-methylpyrrolidin-3-yl]propan-2-one;1-methyl-4-(thiophen-2-ylmethyl)piperazine (CID 159644323) is (2S,4R)-N-cyclobutyl-4-hydroxy-1-methylpyrrolidine-2-carboxamide;2-cyclopropyl-1-[(3R)-1-methylpyrrolidin-3-yl]ethanone;3,3-difluoro-1-methylpyrrolidine;1,6-dimethyl-5,7-dihydro-4H-pyrazolo[5,4-c]pyridine;2-(2-methoxyethyl)-1,4-dimethylpiperazine;1-(1-methoxy-2-methylpropan-2-yl)-4-methylpiperazine;1-(1-methoxypropan-2-yl)-4-methylpiperazine;2-methyl-1,3,4,7,8,8a-hexahydropyrrolo[1,2-a]pyrazin-6-one;7-methyl-6,8-dihydro-5H-imidazo[1,2-a]pyrazine;7-methyl-6,8-dihydro-5H-[1,2,4]triazolo[4,3-a]pyrazine;2-methyl-2-(4-methylpiperazin-1-yl)propan-1-ol;5-(4-methylpiperazin-1-yl)pentan-2-one;1-[(3R)-1-methylpyrrolidin-3-yl]propan-2-one;1-methyl-4-(thiophen-2-ylmethyl)piperazine.

What is the SMILES notation for (2S,4R)-N-cyclobutyl-4-hydroxy-1-methylpyrrolidine-2-carboxamide;2-cyclopropyl-1-[(3R)-1-methylpyrrolidin-3-yl]ethanone;3,3-difluoro-1-methylpyrrolidine;1,6-dimethyl-5,7-dihydro-4H-pyrazolo[5,4-c]pyridine;2-(2-methoxyethyl)-1,4-dimethylpiperazine;1-(1-methoxy-2-methylpropan-2-yl)-4-methylpiperazine;1-(1-methoxypropan-2-yl)-4-methylpiperazine;2-methyl-1,3,4,7,8,8a-hexahydropyrrolo[1,2-a]pyrazin-6-one;7-methyl-6,8-dihydro-5H-imidazo[1,2-a]pyrazine;7-methyl-6,8-dihydro-5H-[1,2,4]triazolo[4,3-a]pyrazine;2-methyl-2-(4-methylpiperazin-1-yl)propan-1-ol;5-(4-methylpiperazin-1-yl)pentan-2-one;1-[(3R)-1-methylpyrrolidin-3-yl]propan-2-one;1-methyl-4-(thiophen-2-ylmethyl)piperazine?

The canonical SMILES for (2S,4R)-N-cyclobutyl-4-hydroxy-1-methylpyrrolidine-2-carboxamide;2-cyclopropyl-1-[(3R)-1-methylpyrrolidin-3-yl]ethanone;3,3-difluoro-1-methylpyrrolidine;1,6-dimethyl-5,7-dihydro-4H-pyrazolo[5,4-c]pyridine;2-(2-methoxyethyl)-1,4-dimethylpiperazine;1-(1-methoxy-2-methylpropan-2-yl)-4-methylpiperazine;1-(1-methoxypropan-2-yl)-4-methylpiperazine;2-methyl-1,3,4,7,8,8a-hexahydropyrrolo[1,2-a]pyrazin-6-one;7-methyl-6,8-dihydro-5H-imidazo[1,2-a]pyrazine;7-methyl-6,8-dihydro-5H-[1,2,4]triazolo[4,3-a]pyrazine;2-methyl-2-(4-methylpiperazin-1-yl)propan-1-ol;5-(4-methylpiperazin-1-yl)pentan-2-one;1-[(3R)-1-methylpyrrolidin-3-yl]propan-2-one;1-methyl-4-(thiophen-2-ylmethyl)piperazine is CC(=O)CCCN1CCN(C)CC1.CC(=O)C[C@H]1CCN(C)C1.CN1CCC(F)(F)C1.CN1CCN(C(C)(C)CO)CC1.CN1CCN(Cc2cccs2)CC1.CN1CCN2C(=O)CCC2C1.CN1CC[C@@H](C(=O)CC2CC2)C1.CN1CCc2cnn(C)c2C1.CN1CCn2ccnc2C1.CN1CCn2cnnc2C1.CN1C[C@H](O)C[C@H]1C(=O)NC1CCC1.COCC(C)(C)N1CCN(C)CC1.COCC(C)N1CCN(C)CC1.COCCC1CN(C)CCN1C.

What is the InChIKey of (2S,4R)-N-cyclobutyl-4-hydroxy-1-methylpyrrolidine-2-carboxamide;2-cyclopropyl-1-[(3R)-1-methylpyrrolidin-3-yl]ethanone;3,3-difluoro-1-methylpyrrolidine;1,6-dimethyl-5,7-dihydro-4H-pyrazolo[5,4-c]pyridine;2-(2-methoxyethyl)-1,4-dimethylpiperazine;1-(1-methoxy-2-methylpropan-2-yl)-4-methylpiperazine;1-(1-methoxypropan-2-yl)-4-methylpiperazine;2-methyl-1,3,4,7,8,8a-hexahydropyrrolo[1,2-a]pyrazin-6-one;7-methyl-6,8-dihydro-5H-imidazo[1,2-a]pyrazine;7-methyl-6,8-dihydro-5H-[1,2,4]triazolo[4,3-a]pyrazine;2-methyl-2-(4-methylpiperazin-1-yl)propan-1-ol;5-(4-methylpiperazin-1-yl)pentan-2-one;1-[(3R)-1-methylpyrrolidin-3-yl]propan-2-one;1-methyl-4-(thiophen-2-ylmethyl)piperazine?

The InChIKey is MQTKQJURJJGKRS-RZMRIROWSA-N. The full InChI is InChI=1S/C10H18N2O2.C10H22N2O.C10H20N2O.C10H16N2S.C10H17NO.3C9H20N2O.C8H13N3.C8H14N2O.C8H15NO.C7H11N3.C6H10N4.C5H9F2N/c1-12-6-8(13)5-9(12)10(14)11-7-3-2-4-7;1-10(2,9-13-4)12-7-5-11(3)6-8-12;1-10(13)4-3-5-12-8-6-11(2)7-9-12;1-11-4-6-12(7-5-11)9-10-3-2-8-13-10;1-11-5-4-9(7-11)10(12)6-8-2-3-8;1-10-5-6-11(2)9(8-10)4-7-12-3;1-9(8-12-3)11-6-4-10(2)5-7-11;1-9(2,8-12)11-6-4-10(3)5-7-11;1-10-4-3-7-5-9-11(2)8(7)6-10;1-9-4-5-10-7(6-9)2-3-8(10)11;1-7(10)5-8-3-4-9(2)6-8;1-9-4-5-10-3-2-8-7(10)6-9;1-9-2-3-10-5-7-8-6(10)4-9;1-8-3-2-5(6,7)4-8/h7-9,13H,2-6H2,1H3,(H,11,14);5-9H2,1-4H3;3-9H2,1-2H3;2-3,8H,4-7,9H2,1H3;8-9H,2-7H2,1H3;2*9H,4-8H2,1-3H3;12H,4-8H2,1-3H3;5H,3-4,6H2,1-2H3;7H,2-6H2,1H3;8H,3-6H2,1-2H3;2-3H,4-6H2,1H3;5H,2-4H2,1H3;2-4H2,1H3/t8-,9+;;;;9-;;;;;;8-;;;/m1...1.....1.../s1.

What are the key properties of (2S,4R)-N-cyclobutyl-4-hydroxy-1-methylpyrrolidine-2-carboxamide;2-cyclopropyl-1-[(3R)-1-methylpyrrolidin-3-yl]ethanone;3,3-difluoro-1-methylpyrrolidine;1,6-dimethyl-5,7-dihydro-4H-pyrazolo[5,4-c]pyridine;2-(2-methoxyethyl)-1,4-dimethylpiperazine;1-(1-methoxy-2-methylpropan-2-yl)-4-methylpiperazine;1-(1-methoxypropan-2-yl)-4-methylpiperazine;2-methyl-1,3,4,7,8,8a-hexahydropyrrolo[1,2-a]pyrazin-6-one;7-methyl-6,8-dihydro-5H-imidazo[1,2-a]pyrazine;7-methyl-6,8-dihydro-5H-[1,2,4]triazolo[4,3-a]pyrazine;2-methyl-2-(4-methylpiperazin-1-yl)propan-1-ol;5-(4-methylpiperazin-1-yl)pentan-2-one;1-[(3R)-1-methylpyrrolidin-3-yl]propan-2-one;1-methyl-4-(thiophen-2-ylmethyl)piperazine?

(2S,4R)-N-cyclobutyl-4-hydroxy-1-methylpyrrolidine-2-carboxamide;2-cyclopropyl-1-[(3R)-1-methylpyrrolidin-3-yl]ethanone;3,3-difluoro-1-methylpyrrolidine;1,6-dimethyl-5,7-dihydro-4H-pyrazolo[5,4-c]pyridine;2-(2-methoxyethyl)-1,4-dimethylpiperazine;1-(1-methoxy-2-methylpropan-2-yl)-4-methylpiperazine;1-(1-methoxypropan-2-yl)-4-methylpiperazine;2-methyl-1,3,4,7,8,8a-hexahydropyrrolo[1,2-a]pyrazin-6-one;7-methyl-6,8-dihydro-5H-imidazo[1,2-a]pyrazine;7-methyl-6,8-dihydro-5H-[1,2,4]triazolo[4,3-a]pyrazine;2-methyl-2-(4-methylpiperazin-1-yl)propan-1-ol;5-(4-methylpiperazin-1-yl)pentan-2-one;1-[(3R)-1-methylpyrrolidin-3-yl]propan-2-one;1-methyl-4-(thiophen-2-ylmethyl)piperazine has a molecular weight of 2292.36 g/mol, XLogP of 6.58, 24 rotatable bonds, 3 hydrogen bond donors, and 38 hydrogen bond acceptors.

Where does this data come from?

All data for (2S,4R)-N-cyclobutyl-4-hydroxy-1-methylpyrrolidine-2-carboxamide;2-cyclopropyl-1-[(3R)-1-methylpyrrolidin-3-yl]ethanone;3,3-difluoro-1-methylpyrrolidine;1,6-dimethyl-5,7-dihydro-4H-pyrazolo[5,4-c]pyridine;2-(2-methoxyethyl)-1,4-dimethylpiperazine;1-(1-methoxy-2-methylpropan-2-yl)-4-methylpiperazine;1-(1-methoxypropan-2-yl)-4-methylpiperazine;2-methyl-1,3,4,7,8,8a-hexahydropyrrolo[1,2-a]pyrazin-6-one;7-methyl-6,8-dihydro-5H-imidazo[1,2-a]pyrazine;7-methyl-6,8-dihydro-5H-[1,2,4]triazolo[4,3-a]pyrazine;2-methyl-2-(4-methylpiperazin-1-yl)propan-1-ol;5-(4-methylpiperazin-1-yl)pentan-2-one;1-[(3R)-1-methylpyrrolidin-3-yl]propan-2-one;1-methyl-4-(thiophen-2-ylmethyl)piperazine is sourced from PubChem (CID 159644323), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).