3-[[1-(3,3-dimethylbutanoyl)piperidin-4-yl]amino]propanenitrile;2-[[1-(3,3-dimethylbutanoyl)piperidin-4-yl]-methylamino]-N,N-dimethylacetamide;3-[[1-(3,3-dimethylbutanoyl)piperidin-4-yl]-methylamino]propanenitrile;3,3-dimethyl-1-[4-(morpholin-4-ylmethyl)piperidin-1-yl]butan-1-one;(3S)-1,3-dimethylpiperidine;ethane;1-(4-ethylpiperazin-1-yl)-3-methylbutan-1-one;(3R)-N-(3-methylbutyl)oxolan-3-amine;(3S)-N-(3-methylbutyl)oxolan-3-amine;3-methyl-1-(4-morpholin-4-ylpiperidin-1-yl)butan-1-one;(3R)-3-propan-2-ylpiperidine

C121H237N19O11 — CID 158138936

About 3-[[1-(3,3-dimethylbutanoyl)piperidin-4-yl]amino]propanenitrile;2-[[1-(3,3-dimethylbutanoyl)piperidin-4-yl]-methylamino]-N,N-dimethylacetamide;3-[[1-(3,3-dimethylbutanoyl)piperidin-4-yl]-methylamino]propanenitrile;3,3-dimethyl-1-[4-(morpholin-4-ylmethyl)piperidin-1-yl]butan-1-one;(3S)-1,3-dimethylpiperidine;ethane;1-(4-ethylpiperazin-1-yl)-3-methylbutan-1-one;(3R)-N-(3-methylbutyl)oxolan-3-amine;(3S)-N-(3-methylbutyl)oxolan-3-amine;3-methyl-1-(4-morpholin-4-ylpiperidin-1-yl)butan-1-one;(3R)-3-propan-2-ylpiperidine

3-[[1-(3,3-dimethylbutanoyl)piperidin-4-yl]amino]propanenitrile;2-[[1-(3,3-dimethylbutanoyl)piperidin-4-yl]-methylamino]-N,N-dimethylacetamide;3-[[1-(3,3-dimethylbutanoyl)piperidin-4-yl]-methylamino]propanenitrile;3,3-dimethyl-1-[4-(morpholin-4-ylmethyl)piperidin-1-yl]butan-1-one;(3S)-1,3-dimethylpiperidine;ethane;1-(4-ethylpiperazin-1-yl)-3-methylbutan-1-one;(3R)-N-(3-methylbutyl)oxolan-3-amine;(3S)-N-(3-methylbutyl)oxolan-3-amine;3-methyl-1-(4-morpholin-4-ylpiperidin-1-yl)butan-1-one;(3R)-3-propan-2-ylpiperidine (PubChem CID 158138936) has the molecular formula C121H237N19O11 and a molecular weight of 2134.35 g/mol. Its IUPAC name is 3-[[1-(3,3-dimethylbutanoyl)piperidin-4-yl]amino]propanenitrile;2-[[1-(3,3-dimethylbutanoyl)piperidin-4-yl]-methylamino]-N,N-dimethylacetamide;3-[[1-(3,3-dimethylbutanoyl)piperidin-4-yl]-methylamino]propanenitrile;3,3-dimethyl-1-[4-(morpholin-4-ylmethyl)piperidin-1-yl]butan-1-one;(3S)-1,3-dimethylpiperidine;ethane;1-(4-ethylpiperazin-1-yl)-3-methylbutan-1-one;(3R)-N-(3-methylbutyl)oxolan-3-amine;(3S)-N-(3-methylbutyl)oxolan-3-amine;3-methyl-1-(4-morpholin-4-ylpiperidin-1-yl)butan-1-one;(3R)-3-propan-2-ylpiperidine.

Molecular Properties

• Compound Name: 3-[[1-(3,3-dimethylbutanoyl)piperidin-4-yl]amino]propanenitrile;2-[[1-(3,3-dimethylbutanoyl)piperidin-4-yl]-methylamino]-N,N-dimethylacetamide;3-[[1-(3,3-dimethylbutanoyl)piperidin-4-yl]-methylamino]propanenitrile;3,3-dimethyl-1-[4-(morpholin-4-ylmethyl)piperidin-1-yl]butan-1-one;(3S)-1,3-dimethylpiperidine;ethane;1-(4-ethylpiperazin-1-yl)-3-methylbutan-1-one;(3R)-N-(3-methylbutyl)oxolan-3-amine;(3S)-N-(3-methylbutyl)oxolan-3-amine;3-methyl-1-(4-morpholin-4-ylpiperidin-1-yl)butan-1-one;(3R)-3-propan-2-ylpiperidine
• PubChem CID: 158138936
• Molecular Formula: C121H237N19O11
• Molecular Weight: 2134.35 g/mol
• Exact Mass: 2132.86
• IUPAC Name: 3-[[1-(3,3-dimethylbutanoyl)piperidin-4-yl]amino]propanenitrile;2-[[1-(3,3-dimethylbutanoyl)piperidin-4-yl]-methylamino]-N,N-dimethylacetamide;3-[[1-(3,3-dimethylbutanoyl)piperidin-4-yl]-methylamino]propanenitrile;3,3-dimethyl-1-[4-(morpholin-4-ylmethyl)piperidin-1-yl]butan-1-one;(3S)-1,3-dimethylpiperidine;ethane;1-(4-ethylpiperazin-1-yl)-3-methylbutan-1-one;(3R)-N-(3-methylbutyl)oxolan-3-amine;(3S)-N-(3-methylbutyl)oxolan-3-amine;3-methyl-1-(4-morpholin-4-ylpiperidin-1-yl)butan-1-one;(3R)-3-propan-2-ylpiperidine
• SMILES: CC.CC(C)(C)CC(=O)N1CCC(CN2CCOCC2)CC1.CC(C)(C)CC(=O)N1CCC(NCCC#N)CC1.CC(C)CC(=O)N1CCC(N2CCOCC2)CC1.CC(C)CCN[C@@H]1CCOC1.CC(C)CCN[C@H]1CCOC1.CC(C)[C@H]1CCCNC1.CCN1CCN(C(=O)CC(C)C)CC1.CN(C)C(=O)CN(C)C1CCN(C(=O)CC(C)(C)C)CC1.CN(CCC#N)C1CCN(C(=O)CC(C)(C)C)CC1.C[C@H]1CCCN(C)C1
• InChI: InChI=1S/C16H31N3O2.C16H30N2O2.C15H27N3O.C14H25N3O.C14H26N2O2.C11H22N2O.2C9H19NO.C8H17N.C7H15N.C2H6/c1-16(2,3)11-14(20)19-9-7-13(8-10-19)18(6)12-15(21)17(4)5;1-16(2,3)12-15(19)18-6-4-14(5-7-18)13-17-8-10-20-11-9-17;1-15(2,3)12-14(19)18-10-6-13(7-11-18)17(4)9-5-8-16;1-14(2,3)11-13(18)17-9-5-12(6-10-17)16-8-4-7-15;1-12(2)11-14(17)16-5-3-13(4-6-16)15-7-9-18-10-8-15;1-4-12-5-7-13(8-6-12)11(14)9-10(2)3;2*1-8(2)3-5-10-9-4-6-11-7-9;1-7(2)8-4-3-5-9-6-8;1-7-4-3-5-8(2)6-7;1-2/h13H,7-12H2,1-6H3;14H,4-13H2,1-3H3;13H,5-7,9-12H2,1-4H3;12,16H,4-6,8-11H2,1-3H3;12-13H,3-11H2,1-2H3;10H,4-9H2,1-3H3;2*8-10H,3-7H2,1-2H3;7-9H,3-6H2,1-2H3;7H,3-6H2,1-2H3;1-2H3/t;;;;;;2*9-;8-;7-;/m......1000./s1
• InChIKey: FTRWNJLWVKHGFA-LHDSFKJOSA-N
• XLogP: 16.99
• TPSA: 294.23 Ų
• H-Bond Donors: 4
• H-Bond Acceptors: 23
• Rotatable Bonds: 30
• Heavy Atoms: 151
• Complexity: —

Lipinski Rule of Five

3 violations

Rule	Value
MW ≤ 500	2134.35
LogP ≤ 5	16.99
H-Bond Donors ≤ 5	4
H-Bond Acceptors ≤ 10	23

Computed Properties (RDKit)

• Structural Alerts: {'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}

Frequently Asked Questions

What is the IUPAC name of 3-[[1-(3,3-dimethylbutanoyl)piperidin-4-yl]amino]propanenitrile;2-[[1-(3,3-dimethylbutanoyl)piperidin-4-yl]-methylamino]-N,N-dimethylacetamide;3-[[1-(3,3-dimethylbutanoyl)piperidin-4-yl]-methylamino]propanenitrile;3,3-dimethyl-1-[4-(morpholin-4-ylmethyl)piperidin-1-yl]butan-1-one;(3S)-1,3-dimethylpiperidine;ethane;1-(4-ethylpiperazin-1-yl)-3-methylbutan-1-one;(3R)-N-(3-methylbutyl)oxolan-3-amine;(3S)-N-(3-methylbutyl)oxolan-3-amine;3-methyl-1-(4-morpholin-4-ylpiperidin-1-yl)butan-1-one;(3R)-3-propan-2-ylpiperidine?

The IUPAC name of 3-[[1-(3,3-dimethylbutanoyl)piperidin-4-yl]amino]propanenitrile;2-[[1-(3,3-dimethylbutanoyl)piperidin-4-yl]-methylamino]-N,N-dimethylacetamide;3-[[1-(3,3-dimethylbutanoyl)piperidin-4-yl]-methylamino]propanenitrile;3,3-dimethyl-1-[4-(morpholin-4-ylmethyl)piperidin-1-yl]butan-1-one;(3S)-1,3-dimethylpiperidine;ethane;1-(4-ethylpiperazin-1-yl)-3-methylbutan-1-one;(3R)-N-(3-methylbutyl)oxolan-3-amine;(3S)-N-(3-methylbutyl)oxolan-3-amine;3-methyl-1-(4-morpholin-4-ylpiperidin-1-yl)butan-1-one;(3R)-3-propan-2-ylpiperidine (CID 158138936) is 3-[[1-(3,3-dimethylbutanoyl)piperidin-4-yl]amino]propanenitrile;2-[[1-(3,3-dimethylbutanoyl)piperidin-4-yl]-methylamino]-N,N-dimethylacetamide;3-[[1-(3,3-dimethylbutanoyl)piperidin-4-yl]-methylamino]propanenitrile;3,3-dimethyl-1-[4-(morpholin-4-ylmethyl)piperidin-1-yl]butan-1-one;(3S)-1,3-dimethylpiperidine;ethane;1-(4-ethylpiperazin-1-yl)-3-methylbutan-1-one;(3R)-N-(3-methylbutyl)oxolan-3-amine;(3S)-N-(3-methylbutyl)oxolan-3-amine;3-methyl-1-(4-morpholin-4-ylpiperidin-1-yl)butan-1-one;(3R)-3-propan-2-ylpiperidine.

What is the SMILES notation for 3-[[1-(3,3-dimethylbutanoyl)piperidin-4-yl]amino]propanenitrile;2-[[1-(3,3-dimethylbutanoyl)piperidin-4-yl]-methylamino]-N,N-dimethylacetamide;3-[[1-(3,3-dimethylbutanoyl)piperidin-4-yl]-methylamino]propanenitrile;3,3-dimethyl-1-[4-(morpholin-4-ylmethyl)piperidin-1-yl]butan-1-one;(3S)-1,3-dimethylpiperidine;ethane;1-(4-ethylpiperazin-1-yl)-3-methylbutan-1-one;(3R)-N-(3-methylbutyl)oxolan-3-amine;(3S)-N-(3-methylbutyl)oxolan-3-amine;3-methyl-1-(4-morpholin-4-ylpiperidin-1-yl)butan-1-one;(3R)-3-propan-2-ylpiperidine?

The canonical SMILES for 3-[[1-(3,3-dimethylbutanoyl)piperidin-4-yl]amino]propanenitrile;2-[[1-(3,3-dimethylbutanoyl)piperidin-4-yl]-methylamino]-N,N-dimethylacetamide;3-[[1-(3,3-dimethylbutanoyl)piperidin-4-yl]-methylamino]propanenitrile;3,3-dimethyl-1-[4-(morpholin-4-ylmethyl)piperidin-1-yl]butan-1-one;(3S)-1,3-dimethylpiperidine;ethane;1-(4-ethylpiperazin-1-yl)-3-methylbutan-1-one;(3R)-N-(3-methylbutyl)oxolan-3-amine;(3S)-N-(3-methylbutyl)oxolan-3-amine;3-methyl-1-(4-morpholin-4-ylpiperidin-1-yl)butan-1-one;(3R)-3-propan-2-ylpiperidine is CC.CC(C)(C)CC(=O)N1CCC(CN2CCOCC2)CC1.CC(C)(C)CC(=O)N1CCC(NCCC#N)CC1.CC(C)CC(=O)N1CCC(N2CCOCC2)CC1.CC(C)CCN[C@@H]1CCOC1.CC(C)CCN[C@H]1CCOC1.CC(C)[C@H]1CCCNC1.CCN1CCN(C(=O)CC(C)C)CC1.CN(C)C(=O)CN(C)C1CCN(C(=O)CC(C)(C)C)CC1.CN(CCC#N)C1CCN(C(=O)CC(C)(C)C)CC1.C[C@H]1CCCN(C)C1.

What is the InChIKey of 3-[[1-(3,3-dimethylbutanoyl)piperidin-4-yl]amino]propanenitrile;2-[[1-(3,3-dimethylbutanoyl)piperidin-4-yl]-methylamino]-N,N-dimethylacetamide;3-[[1-(3,3-dimethylbutanoyl)piperidin-4-yl]-methylamino]propanenitrile;3,3-dimethyl-1-[4-(morpholin-4-ylmethyl)piperidin-1-yl]butan-1-one;(3S)-1,3-dimethylpiperidine;ethane;1-(4-ethylpiperazin-1-yl)-3-methylbutan-1-one;(3R)-N-(3-methylbutyl)oxolan-3-amine;(3S)-N-(3-methylbutyl)oxolan-3-amine;3-methyl-1-(4-morpholin-4-ylpiperidin-1-yl)butan-1-one;(3R)-3-propan-2-ylpiperidine?

The InChIKey is FTRWNJLWVKHGFA-LHDSFKJOSA-N. The full InChI is InChI=1S/C16H31N3O2.C16H30N2O2.C15H27N3O.C14H25N3O.C14H26N2O2.C11H22N2O.2C9H19NO.C8H17N.C7H15N.C2H6/c1-16(2,3)11-14(20)19-9-7-13(8-10-19)18(6)12-15(21)17(4)5;1-16(2,3)12-15(19)18-6-4-14(5-7-18)13-17-8-10-20-11-9-17;1-15(2,3)12-14(19)18-10-6-13(7-11-18)17(4)9-5-8-16;1-14(2,3)11-13(18)17-9-5-12(6-10-17)16-8-4-7-15;1-12(2)11-14(17)16-5-3-13(4-6-16)15-7-9-18-10-8-15;1-4-12-5-7-13(8-6-12)11(14)9-10(2)3;2*1-8(2)3-5-10-9-4-6-11-7-9;1-7(2)8-4-3-5-9-6-8;1-7-4-3-5-8(2)6-7;1-2/h13H,7-12H2,1-6H3;14H,4-13H2,1-3H3;13H,5-7,9-12H2,1-4H3;12,16H,4-6,8-11H2,1-3H3;12-13H,3-11H2,1-2H3;10H,4-9H2,1-3H3;2*8-10H,3-7H2,1-2H3;7-9H,3-6H2,1-2H3;7H,3-6H2,1-2H3;1-2H3/t;;;;;;2*9-;8-;7-;/m......1000./s1.

What are the key properties of 3-[[1-(3,3-dimethylbutanoyl)piperidin-4-yl]amino]propanenitrile;2-[[1-(3,3-dimethylbutanoyl)piperidin-4-yl]-methylamino]-N,N-dimethylacetamide;3-[[1-(3,3-dimethylbutanoyl)piperidin-4-yl]-methylamino]propanenitrile;3,3-dimethyl-1-[4-(morpholin-4-ylmethyl)piperidin-1-yl]butan-1-one;(3S)-1,3-dimethylpiperidine;ethane;1-(4-ethylpiperazin-1-yl)-3-methylbutan-1-one;(3R)-N-(3-methylbutyl)oxolan-3-amine;(3S)-N-(3-methylbutyl)oxolan-3-amine;3-methyl-1-(4-morpholin-4-ylpiperidin-1-yl)butan-1-one;(3R)-3-propan-2-ylpiperidine?

3-[[1-(3,3-dimethylbutanoyl)piperidin-4-yl]amino]propanenitrile;2-[[1-(3,3-dimethylbutanoyl)piperidin-4-yl]-methylamino]-N,N-dimethylacetamide;3-[[1-(3,3-dimethylbutanoyl)piperidin-4-yl]-methylamino]propanenitrile;3,3-dimethyl-1-[4-(morpholin-4-ylmethyl)piperidin-1-yl]butan-1-one;(3S)-1,3-dimethylpiperidine;ethane;1-(4-ethylpiperazin-1-yl)-3-methylbutan-1-one;(3R)-N-(3-methylbutyl)oxolan-3-amine;(3S)-N-(3-methylbutyl)oxolan-3-amine;3-methyl-1-(4-morpholin-4-ylpiperidin-1-yl)butan-1-one;(3R)-3-propan-2-ylpiperidine has a molecular weight of 2134.35 g/mol, XLogP of 16.99, 30 rotatable bonds, 4 hydrogen bond donors, and 23 hydrogen bond acceptors.

Where does this data come from?

All data for 3-[[1-(3,3-dimethylbutanoyl)piperidin-4-yl]amino]propanenitrile;2-[[1-(3,3-dimethylbutanoyl)piperidin-4-yl]-methylamino]-N,N-dimethylacetamide;3-[[1-(3,3-dimethylbutanoyl)piperidin-4-yl]-methylamino]propanenitrile;3,3-dimethyl-1-[4-(morpholin-4-ylmethyl)piperidin-1-yl]butan-1-one;(3S)-1,3-dimethylpiperidine;ethane;1-(4-ethylpiperazin-1-yl)-3-methylbutan-1-one;(3R)-N-(3-methylbutyl)oxolan-3-amine;(3S)-N-(3-methylbutyl)oxolan-3-amine;3-methyl-1-(4-morpholin-4-ylpiperidin-1-yl)butan-1-one;(3R)-3-propan-2-ylpiperidine is sourced from PubChem (CID 158138936), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).