5-[1-(2-amino-3-cyclopentylpropanoyl)piperidin-4-yl]-4-ethyl-2-methyl-1,2,4-triazol-3-one;N-[(2R,4S,6R)-2-cyclohexyl-6-propyloxan-4-yl]acetamide;4-ethyl-2-methyl-5-[1-[2-(1,2,4-triazol-1-yl)propanoyl]piperidin-4-yl]-1,2,4-triazol-3-one;5-[[4-[(3-fluorophenyl)methyl]piperazin-1-yl]methyl]-N-(oxolan-2-ylmethyl)pyrimidin-2-amine;[1-[(E)-2-methyl-3-phenylprop-2-enyl]pyrrolidin-3-yl]methanamine;3H-pyrazol-4-yl-(4-pyrimidin-2-yloxypiperidin-1-yl)methanone;2-[[4-(trifluoromethyl)piperidin-1-yl]methyl]-4,5,6,7-tetrahydropyrazolo[1,5-a]pyridine

C112H168F4N28O9 — CID 158236831

About 5-[1-(2-amino-3-cyclopentylpropanoyl)piperidin-4-yl]-4-ethyl-2-methyl-1,2,4-triazol-3-one;N-[(2R,4S,6R)-2-cyclohexyl-6-propyloxan-4-yl]acetamide;4-ethyl-2-methyl-5-[1-[2-(1,2,4-triazol-1-yl)propanoyl]piperidin-4-yl]-1,2,4-triazol-3-one;5-[[4-[(3-fluorophenyl)methyl]piperazin-1-yl]methyl]-N-(oxolan-2-ylmethyl)pyrimidin-2-amine;[1-[(E)-2-methyl-3-phenylprop-2-enyl]pyrrolidin-3-yl]methanamine;3H-pyrazol-4-yl-(4-pyrimidin-2-yloxypiperidin-1-yl)methanone;2-[[4-(trifluoromethyl)piperidin-1-yl]methyl]-4,5,6,7-tetrahydropyrazolo[1,5-a]pyridine

5-[1-(2-amino-3-cyclopentylpropanoyl)piperidin-4-yl]-4-ethyl-2-methyl-1,2,4-triazol-3-one;N-[(2R,4S,6R)-2-cyclohexyl-6-propyloxan-4-yl]acetamide;4-ethyl-2-methyl-5-[1-[2-(1,2,4-triazol-1-yl)propanoyl]piperidin-4-yl]-1,2,4-triazol-3-one;5-[[4-[(3-fluorophenyl)methyl]piperazin-1-yl]methyl]-N-(oxolan-2-ylmethyl)pyrimidin-2-amine;[1-[(E)-2-methyl-3-phenylprop-2-enyl]pyrrolidin-3-yl]methanamine;3H-pyrazol-4-yl-(4-pyrimidin-2-yloxypiperidin-1-yl)methanone;2-[[4-(trifluoromethyl)piperidin-1-yl]methyl]-4,5,6,7-tetrahydropyrazolo[1,5-a]pyridine (PubChem CID 158236831) has the molecular formula C112H168F4N28O9 and a molecular weight of 2126.75 g/mol. Its IUPAC name is 5-[1-(2-amino-3-cyclopentylpropanoyl)piperidin-4-yl]-4-ethyl-2-methyl-1,2,4-triazol-3-one;N-[(2R,4S,6R)-2-cyclohexyl-6-propyloxan-4-yl]acetamide;4-ethyl-2-methyl-5-[1-[2-(1,2,4-triazol-1-yl)propanoyl]piperidin-4-yl]-1,2,4-triazol-3-one;5-[[4-[(3-fluorophenyl)methyl]piperazin-1-yl]methyl]-N-(oxolan-2-ylmethyl)pyrimidin-2-amine;[1-[(E)-2-methyl-3-phenylprop-2-enyl]pyrrolidin-3-yl]methanamine;3H-pyrazol-4-yl-(4-pyrimidin-2-yloxypiperidin-1-yl)methanone;2-[[4-(trifluoromethyl)piperidin-1-yl]methyl]-4,5,6,7-tetrahydropyrazolo[1,5-a]pyridine.

Molecular Properties

• Compound Name: 5-[1-(2-amino-3-cyclopentylpropanoyl)piperidin-4-yl]-4-ethyl-2-methyl-1,2,4-triazol-3-one;N-[(2R,4S,6R)-2-cyclohexyl-6-propyloxan-4-yl]acetamide;4-ethyl-2-methyl-5-[1-[2-(1,2,4-triazol-1-yl)propanoyl]piperidin-4-yl]-1,2,4-triazol-3-one;5-[[4-[(3-fluorophenyl)methyl]piperazin-1-yl]methyl]-N-(oxolan-2-ylmethyl)pyrimidin-2-amine;[1-[(E)-2-methyl-3-phenylprop-2-enyl]pyrrolidin-3-yl]methanamine;3H-pyrazol-4-yl-(4-pyrimidin-2-yloxypiperidin-1-yl)methanone;2-[[4-(trifluoromethyl)piperidin-1-yl]methyl]-4,5,6,7-tetrahydropyrazolo[1,5-a]pyridine
• PubChem CID: 158236831
• Molecular Formula: C112H168F4N28O9
• Molecular Weight: 2126.75 g/mol
• Exact Mass: 2125.35
• IUPAC Name: 5-[1-(2-amino-3-cyclopentylpropanoyl)piperidin-4-yl]-4-ethyl-2-methyl-1,2,4-triazol-3-one;N-[(2R,4S,6R)-2-cyclohexyl-6-propyloxan-4-yl]acetamide;4-ethyl-2-methyl-5-[1-[2-(1,2,4-triazol-1-yl)propanoyl]piperidin-4-yl]-1,2,4-triazol-3-one;5-[[4-[(3-fluorophenyl)methyl]piperazin-1-yl]methyl]-N-(oxolan-2-ylmethyl)pyrimidin-2-amine;[1-[(E)-2-methyl-3-phenylprop-2-enyl]pyrrolidin-3-yl]methanamine;3H-pyrazol-4-yl-(4-pyrimidin-2-yloxypiperidin-1-yl)methanone;2-[[4-(trifluoromethyl)piperidin-1-yl]methyl]-4,5,6,7-tetrahydropyrazolo[1,5-a]pyridine
• SMILES: C/C(=C\c1ccccc1)CN1CCC(CN)C1.CCC[C@@H]1C[C@H](NC(C)=O)C[C@H](C2CCCCC2)O1.CCn1c(C2CCN(C(=O)C(C)n3cncn3)CC2)nn(C)c1=O.CCn1c(C2CCN(C(=O)C(N)CC3CCCC3)CC2)nn(C)c1=O.FC(F)(F)C1CCN(Cc2cc3n(n2)CCCC3)CC1.Fc1cccc(CN2CCN(Cc3cnc(NCC4CCCO4)nc3)CC2)c1.O=C(C1=CN=NC1)N1CCC(Oc2ncccn2)CC1
• InChI: InChI=1S/C21H28FN5O.C18H31N5O2.C16H29NO2.C15H23N7O2.C15H22N2.C14H20F3N3.C13H15N5O2/c22-19-4-1-3-17(11-19)15-26-6-8-27(9-7-26)16-18-12-23-21(24-13-18)25-14-20-5-2-10-28-20;1-3-23-16(20-21(2)18(23)25)14-8-10-22(11-9-14)17(24)15(19)12-13-6-4-5-7-13;1-3-7-15-10-14(17-12(2)18)11-16(19-15)13-8-5-4-6-9-13;1-4-21-13(18-19(3)15(21)24)12-5-7-20(8-6-12)14(23)11(2)22-10-16-9-17-22;1-13(9-14-5-3-2-4-6-14)11-17-8-7-15(10-16)12-17;15-14(16,17)11-4-7-19(8-5-11)10-12-9-13-3-1-2-6-20(13)18-12;19-12(10-8-16-17-9-10)18-6-2-11(3-7-18)20-13-14-4-1-5-15-13/h1,3-4,11-13,20H,2,5-10,14-16H2,(H,23,24,25);13-15H,3-12,19H2,1-2H3;13-16H,3-11H2,1-2H3,(H,17,18);9-12H,4-8H2,1-3H3;2-6,9,15H,7-8,10-12,16H2,1H3;9,11H,1-8,10H2;1,4-5,8,11H,2-3,6-7,9H2/b;;;;13-9+;;/t;;14-,15+,16+;;;;/m..0..../s1
• InChIKey: GFBICXYSWADXCC-DAQWIMIRSA-N
• XLogP: 13.88
• TPSA: 399.20 Ų
• H-Bond Donors: 4
• H-Bond Acceptors: 33
• Rotatable Bonds: 29
• Heavy Atoms: 153
• Complexity: —

Lipinski Rule of Five

3 violations

Rule	Value
MW ≤ 500	2126.75
LogP ≤ 5	13.88
H-Bond Donors ≤ 5	4
H-Bond Acceptors ≤ 10	33

Frequently Asked Questions

What is the IUPAC name of 5-[1-(2-amino-3-cyclopentylpropanoyl)piperidin-4-yl]-4-ethyl-2-methyl-1,2,4-triazol-3-one;N-[(2R,4S,6R)-2-cyclohexyl-6-propyloxan-4-yl]acetamide;4-ethyl-2-methyl-5-[1-[2-(1,2,4-triazol-1-yl)propanoyl]piperidin-4-yl]-1,2,4-triazol-3-one;5-[[4-[(3-fluorophenyl)methyl]piperazin-1-yl]methyl]-N-(oxolan-2-ylmethyl)pyrimidin-2-amine;[1-[(E)-2-methyl-3-phenylprop-2-enyl]pyrrolidin-3-yl]methanamine;3H-pyrazol-4-yl-(4-pyrimidin-2-yloxypiperidin-1-yl)methanone;2-[[4-(trifluoromethyl)piperidin-1-yl]methyl]-4,5,6,7-tetrahydropyrazolo[1,5-a]pyridine?

The IUPAC name of 5-[1-(2-amino-3-cyclopentylpropanoyl)piperidin-4-yl]-4-ethyl-2-methyl-1,2,4-triazol-3-one;N-[(2R,4S,6R)-2-cyclohexyl-6-propyloxan-4-yl]acetamide;4-ethyl-2-methyl-5-[1-[2-(1,2,4-triazol-1-yl)propanoyl]piperidin-4-yl]-1,2,4-triazol-3-one;5-[[4-[(3-fluorophenyl)methyl]piperazin-1-yl]methyl]-N-(oxolan-2-ylmethyl)pyrimidin-2-amine;[1-[(E)-2-methyl-3-phenylprop-2-enyl]pyrrolidin-3-yl]methanamine;3H-pyrazol-4-yl-(4-pyrimidin-2-yloxypiperidin-1-yl)methanone;2-[[4-(trifluoromethyl)piperidin-1-yl]methyl]-4,5,6,7-tetrahydropyrazolo[1,5-a]pyridine (CID 158236831) is 5-[1-(2-amino-3-cyclopentylpropanoyl)piperidin-4-yl]-4-ethyl-2-methyl-1,2,4-triazol-3-one;N-[(2R,4S,6R)-2-cyclohexyl-6-propyloxan-4-yl]acetamide;4-ethyl-2-methyl-5-[1-[2-(1,2,4-triazol-1-yl)propanoyl]piperidin-4-yl]-1,2,4-triazol-3-one;5-[[4-[(3-fluorophenyl)methyl]piperazin-1-yl]methyl]-N-(oxolan-2-ylmethyl)pyrimidin-2-amine;[1-[(E)-2-methyl-3-phenylprop-2-enyl]pyrrolidin-3-yl]methanamine;3H-pyrazol-4-yl-(4-pyrimidin-2-yloxypiperidin-1-yl)methanone;2-[[4-(trifluoromethyl)piperidin-1-yl]methyl]-4,5,6,7-tetrahydropyrazolo[1,5-a]pyridine.

What is the SMILES notation for 5-[1-(2-amino-3-cyclopentylpropanoyl)piperidin-4-yl]-4-ethyl-2-methyl-1,2,4-triazol-3-one;N-[(2R,4S,6R)-2-cyclohexyl-6-propyloxan-4-yl]acetamide;4-ethyl-2-methyl-5-[1-[2-(1,2,4-triazol-1-yl)propanoyl]piperidin-4-yl]-1,2,4-triazol-3-one;5-[[4-[(3-fluorophenyl)methyl]piperazin-1-yl]methyl]-N-(oxolan-2-ylmethyl)pyrimidin-2-amine;[1-[(E)-2-methyl-3-phenylprop-2-enyl]pyrrolidin-3-yl]methanamine;3H-pyrazol-4-yl-(4-pyrimidin-2-yloxypiperidin-1-yl)methanone;2-[[4-(trifluoromethyl)piperidin-1-yl]methyl]-4,5,6,7-tetrahydropyrazolo[1,5-a]pyridine?

The canonical SMILES for 5-[1-(2-amino-3-cyclopentylpropanoyl)piperidin-4-yl]-4-ethyl-2-methyl-1,2,4-triazol-3-one;N-[(2R,4S,6R)-2-cyclohexyl-6-propyloxan-4-yl]acetamide;4-ethyl-2-methyl-5-[1-[2-(1,2,4-triazol-1-yl)propanoyl]piperidin-4-yl]-1,2,4-triazol-3-one;5-[[4-[(3-fluorophenyl)methyl]piperazin-1-yl]methyl]-N-(oxolan-2-ylmethyl)pyrimidin-2-amine;[1-[(E)-2-methyl-3-phenylprop-2-enyl]pyrrolidin-3-yl]methanamine;3H-pyrazol-4-yl-(4-pyrimidin-2-yloxypiperidin-1-yl)methanone;2-[[4-(trifluoromethyl)piperidin-1-yl]methyl]-4,5,6,7-tetrahydropyrazolo[1,5-a]pyridine is C/C(=C\c1ccccc1)CN1CCC(CN)C1.CCC[C@@H]1C[C@H](NC(C)=O)C[C@H](C2CCCCC2)O1.CCn1c(C2CCN(C(=O)C(C)n3cncn3)CC2)nn(C)c1=O.CCn1c(C2CCN(C(=O)C(N)CC3CCCC3)CC2)nn(C)c1=O.FC(F)(F)C1CCN(Cc2cc3n(n2)CCCC3)CC1.Fc1cccc(CN2CCN(Cc3cnc(NCC4CCCO4)nc3)CC2)c1.O=C(C1=CN=NC1)N1CCC(Oc2ncccn2)CC1.

What is the InChIKey of 5-[1-(2-amino-3-cyclopentylpropanoyl)piperidin-4-yl]-4-ethyl-2-methyl-1,2,4-triazol-3-one;N-[(2R,4S,6R)-2-cyclohexyl-6-propyloxan-4-yl]acetamide;4-ethyl-2-methyl-5-[1-[2-(1,2,4-triazol-1-yl)propanoyl]piperidin-4-yl]-1,2,4-triazol-3-one;5-[[4-[(3-fluorophenyl)methyl]piperazin-1-yl]methyl]-N-(oxolan-2-ylmethyl)pyrimidin-2-amine;[1-[(E)-2-methyl-3-phenylprop-2-enyl]pyrrolidin-3-yl]methanamine;3H-pyrazol-4-yl-(4-pyrimidin-2-yloxypiperidin-1-yl)methanone;2-[[4-(trifluoromethyl)piperidin-1-yl]methyl]-4,5,6,7-tetrahydropyrazolo[1,5-a]pyridine?

The InChIKey is GFBICXYSWADXCC-DAQWIMIRSA-N. The full InChI is InChI=1S/C21H28FN5O.C18H31N5O2.C16H29NO2.C15H23N7O2.C15H22N2.C14H20F3N3.C13H15N5O2/c22-19-4-1-3-17(11-19)15-26-6-8-27(9-7-26)16-18-12-23-21(24-13-18)25-14-20-5-2-10-28-20;1-3-23-16(20-21(2)18(23)25)14-8-10-22(11-9-14)17(24)15(19)12-13-6-4-5-7-13;1-3-7-15-10-14(17-12(2)18)11-16(19-15)13-8-5-4-6-9-13;1-4-21-13(18-19(3)15(21)24)12-5-7-20(8-6-12)14(23)11(2)22-10-16-9-17-22;1-13(9-14-5-3-2-4-6-14)11-17-8-7-15(10-16)12-17;15-14(16,17)11-4-7-19(8-5-11)10-12-9-13-3-1-2-6-20(13)18-12;19-12(10-8-16-17-9-10)18-6-2-11(3-7-18)20-13-14-4-1-5-15-13/h1,3-4,11-13,20H,2,5-10,14-16H2,(H,23,24,25);13-15H,3-12,19H2,1-2H3;13-16H,3-11H2,1-2H3,(H,17,18);9-12H,4-8H2,1-3H3;2-6,9,15H,7-8,10-12,16H2,1H3;9,11H,1-8,10H2;1,4-5,8,11H,2-3,6-7,9H2/b;;;;13-9+;;/t;;14-,15+,16+;;;;/m..0..../s1.

What are the key properties of 5-[1-(2-amino-3-cyclopentylpropanoyl)piperidin-4-yl]-4-ethyl-2-methyl-1,2,4-triazol-3-one;N-[(2R,4S,6R)-2-cyclohexyl-6-propyloxan-4-yl]acetamide;4-ethyl-2-methyl-5-[1-[2-(1,2,4-triazol-1-yl)propanoyl]piperidin-4-yl]-1,2,4-triazol-3-one;5-[[4-[(3-fluorophenyl)methyl]piperazin-1-yl]methyl]-N-(oxolan-2-ylmethyl)pyrimidin-2-amine;[1-[(E)-2-methyl-3-phenylprop-2-enyl]pyrrolidin-3-yl]methanamine;3H-pyrazol-4-yl-(4-pyrimidin-2-yloxypiperidin-1-yl)methanone;2-[[4-(trifluoromethyl)piperidin-1-yl]methyl]-4,5,6,7-tetrahydropyrazolo[1,5-a]pyridine?

5-[1-(2-amino-3-cyclopentylpropanoyl)piperidin-4-yl]-4-ethyl-2-methyl-1,2,4-triazol-3-one;N-[(2R,4S,6R)-2-cyclohexyl-6-propyloxan-4-yl]acetamide;4-ethyl-2-methyl-5-[1-[2-(1,2,4-triazol-1-yl)propanoyl]piperidin-4-yl]-1,2,4-triazol-3-one;5-[[4-[(3-fluorophenyl)methyl]piperazin-1-yl]methyl]-N-(oxolan-2-ylmethyl)pyrimidin-2-amine;[1-[(E)-2-methyl-3-phenylprop-2-enyl]pyrrolidin-3-yl]methanamine;3H-pyrazol-4-yl-(4-pyrimidin-2-yloxypiperidin-1-yl)methanone;2-[[4-(trifluoromethyl)piperidin-1-yl]methyl]-4,5,6,7-tetrahydropyrazolo[1,5-a]pyridine has a molecular weight of 2126.75 g/mol, XLogP of 13.88, 29 rotatable bonds, 4 hydrogen bond donors, and 33 hydrogen bond acceptors.

Where does this data come from?

All data for 5-[1-(2-amino-3-cyclopentylpropanoyl)piperidin-4-yl]-4-ethyl-2-methyl-1,2,4-triazol-3-one;N-[(2R,4S,6R)-2-cyclohexyl-6-propyloxan-4-yl]acetamide;4-ethyl-2-methyl-5-[1-[2-(1,2,4-triazol-1-yl)propanoyl]piperidin-4-yl]-1,2,4-triazol-3-one;5-[[4-[(3-fluorophenyl)methyl]piperazin-1-yl]methyl]-N-(oxolan-2-ylmethyl)pyrimidin-2-amine;[1-[(E)-2-methyl-3-phenylprop-2-enyl]pyrrolidin-3-yl]methanamine;3H-pyrazol-4-yl-(4-pyrimidin-2-yloxypiperidin-1-yl)methanone;2-[[4-(trifluoromethyl)piperidin-1-yl]methyl]-4,5,6,7-tetrahydropyrazolo[1,5-a]pyridine is sourced from PubChem (CID 158236831), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).