2-amino-N-[3-(4-chlorophenyl)-1-[4-cyclohexyl-4-(1,2,4-triazol-1-ylmethyl)piperidin-1-yl]-1-oxopropan-2-yl]acetamide

C25H35ClN6O2 — CID 22262690

IUPAC2-amino-N-[3-(4-chlorophenyl)-1-[4-cyclohexyl-4-(1,2,4-triazol-1-ylmethyl)piperidin-1-yl]-1-oxopropan-2-yl]acetamide
SMILESNCC(=O)NC(Cc1ccc(Cl)cc1)C(=O)N1CCC(Cn2cncn2)(C2CCCCC2)CC1
InChIInChI=1S/C25H35ClN6O2/c26-21-8-6-19(7-9-21)14-22(30-23(33)15-27)24(34)31-12-10-25(11-13-31,16-32-18-28-17-29-32)20-4-2-1-3-5-20/h6-9,17-18,20,22H,1-5,10-16,27H2,(H,30,33)
InChIKeyXJEJCJCMFYYBCN-UHFFFAOYSA-N
MW487.05 g/mol
LogP2.81
Rot. Bonds8

About 2-amino-N-[3-(4-chlorophenyl)-1-[4-cyclohexyl-4-(1,2,4-triazol-1-ylmethyl)piperidin-1-yl]-1-oxopropan-2-yl]acetamide

2-amino-N-[3-(4-chlorophenyl)-1-[4-cyclohexyl-4-(1,2,4-triazol-1-ylmethyl)piperidin-1-yl]-1-oxopropan-2-yl]acetamide (PubChem CID 22262690) has the molecular formula C25H35ClN6O2 and a molecular weight of 487.05 g/mol. Its IUPAC name is 2-amino-N-[3-(4-chlorophenyl)-1-[4-cyclohexyl-4-(1,2,4-triazol-1-ylmethyl)piperidin-1-yl]-1-oxopropan-2-yl]acetamide.

Molecular Properties

Compound Name2-amino-N-[3-(4-chlorophenyl)-1-[4-cyclohexyl-4-(1,2,4-triazol-1-ylmethyl)piperidin-1-yl]-1-oxopropan-2-yl]acetamide
PubChem CID22262690
Molecular FormulaC25H35ClN6O2
Molecular Weight487.05 g/mol
Exact Mass486.25
IUPAC Name2-amino-N-[3-(4-chlorophenyl)-1-[4-cyclohexyl-4-(1,2,4-triazol-1-ylmethyl)piperidin-1-yl]-1-oxopropan-2-yl]acetamide
SMILESNCC(=O)NC(Cc1ccc(Cl)cc1)C(=O)N1CCC(Cn2cncn2)(C2CCCCC2)CC1
InChIInChI=1S/C25H35ClN6O2/c26-21-8-6-19(7-9-21)14-22(30-23(33)15-27)24(34)31-12-10-25(11-13-31,16-32-18-28-17-29-32)20-4-2-1-3-5-20/h6-9,17-18,20,22H,1-5,10-16,27H2,(H,30,33)
InChIKeyXJEJCJCMFYYBCN-UHFFFAOYSA-N
XLogP2.81
TPSA106.14 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds8
Heavy Atoms34
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500487.05
LogP ≤ 52.81
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

Analyze 2-amino-N-[3-(4-chlorophenyl)-1-[4-cyclohexyl-4-(1,2,4-triazol-1-ylmethyl)piperidin-1-yl]-1-oxopropan-2-yl]acetamide with MolForge

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Related Compounds

N-[(2R)-3-(4-chlorophenyl)-1-[4-cyclohexyl-4-(1,2,4-triazol-1-ylmethyl)piperidin-1-yl]-1-oxopropan-2-yl]-2-(methylamino)acetamide
CID 10228827
N-[3-(4-chlorophenyl)-1-[4-cyclohexyl-4-(1,2,4-triazol-1-ylmethyl)piperidin-1-yl]-1-oxopropan-2-yl]-3-(dimethylamino)propanamide
CID 23588994
N-[3-(4-chlorophenyl)-1-[4-cyclohexyl-4-(1,2,4-triazol-1-ylmethyl)piperidin-1-yl]-1-oxopropan-2-yl]-3-(ethylamino)propanamide
CID 23588995
(2R)-3-(4-chlorophenyl)-1-[4-cyclohexyl-4-(1,2,4-triazol-1-ylmethyl)piperidin-1-yl]-2-[(4-hydroxycyclohexyl)amino]propan-1-one
CID 87840468
4-[[(2R)-3-(4-chlorophenyl)-1-[4-cyclohexyl-4-(1,2,4-triazol-1-ylmethyl)piperidin-1-yl]-1-oxopropan-2-yl]amino]cyclohexane-1-carboxamide
CID 68527521
(2R)-2-amino-N-[(2R)-3-(4-chlorophenyl)-1-[4-cyclohexyl-4-(1,2,4-triazol-1-ylmethyl)piperidin-1-yl]-1-oxopropan-2-yl]-2-piperidin-4-ylacetamide
CID 10120682
2-[[4-[[(2R)-3-(4-chlorophenyl)-1-[4-cyclohexyl-4-(1,2,4-triazol-1-ylmethyl)piperidin-1-yl]-1-oxopropan-2-yl]amino]cyclohexyl]amino]acetamide
CID 68534058
(2R)-3-(4-chlorophenyl)-1-[4-cyclohexyl-4-(1,2,4-triazol-1-ylmethyl)piperidin-1-yl]-2-[(1-phenylpiperidin-4-yl)amino]propan-1-one
CID 68529134
(2R)-2-(1-aminocyclohexyl)-3-(4-chlorophenyl)-1-[4-cyclohexyl-4-(1,2,4-triazol-1-ylmethyl)piperidin-1-yl]propan-1-one
CID 154484475
(3R)-N-[(2R)-3-(4-chlorophenyl)-1-[4-cyclohexyl-4-(1,2,4-triazol-1-ylmethyl)piperidin-1-yl]-1-oxopropan-2-yl]-2-(cyclopropylmethyl)-3,4,4a,5,6,7,8,8a-octahydro-1H-isoquinoline-3-carboxamide
CID 59875602
(2R)-3-(4-chlorophenyl)-1-[4-cyclohexyl-4-(1,2,4-triazol-1-ylmethyl)piperidin-1-yl]-2-[(6-hydroxy-8-methyl-8-azabicyclo[3.2.1]octan-3-yl)amino]propan-1-one
CID 68529582
(3R)-N-[3-(4-chlorophenyl)-1-[4-cyclohexyl-4-(1,2,4-triazol-1-ylmethyl)piperidin-1-yl]-1-oxopropan-2-yl]-1,2,3,4-tetrahydroisoquinoline-3-carboxamide
CID 137378852

Frequently Asked Questions

What is the IUPAC name of 2-amino-N-[3-(4-chlorophenyl)-1-[4-cyclohexyl-4-(1,2,4-triazol-1-ylmethyl)piperidin-1-yl]-1-oxopropan-2-yl]acetamide?
The IUPAC name of 2-amino-N-[3-(4-chlorophenyl)-1-[4-cyclohexyl-4-(1,2,4-triazol-1-ylmethyl)piperidin-1-yl]-1-oxopropan-2-yl]acetamide (CID 22262690) is 2-amino-N-[3-(4-chlorophenyl)-1-[4-cyclohexyl-4-(1,2,4-triazol-1-ylmethyl)piperidin-1-yl]-1-oxopropan-2-yl]acetamide.
What is the SMILES notation for 2-amino-N-[3-(4-chlorophenyl)-1-[4-cyclohexyl-4-(1,2,4-triazol-1-ylmethyl)piperidin-1-yl]-1-oxopropan-2-yl]acetamide?
The canonical SMILES for 2-amino-N-[3-(4-chlorophenyl)-1-[4-cyclohexyl-4-(1,2,4-triazol-1-ylmethyl)piperidin-1-yl]-1-oxopropan-2-yl]acetamide is NCC(=O)NC(Cc1ccc(Cl)cc1)C(=O)N1CCC(Cn2cncn2)(C2CCCCC2)CC1.
What is the InChIKey of 2-amino-N-[3-(4-chlorophenyl)-1-[4-cyclohexyl-4-(1,2,4-triazol-1-ylmethyl)piperidin-1-yl]-1-oxopropan-2-yl]acetamide?
The InChIKey is XJEJCJCMFYYBCN-UHFFFAOYSA-N. The full InChI is InChI=1S/C25H35ClN6O2/c26-21-8-6-19(7-9-21)14-22(30-23(33)15-27)24(34)31-12-10-25(11-13-31,16-32-18-28-17-29-32)20-4-2-1-3-5-20/h6-9,17-18,20,22H,1-5,10-16,27H2,(H,30,33).
What are the key properties of 2-amino-N-[3-(4-chlorophenyl)-1-[4-cyclohexyl-4-(1,2,4-triazol-1-ylmethyl)piperidin-1-yl]-1-oxopropan-2-yl]acetamide?
2-amino-N-[3-(4-chlorophenyl)-1-[4-cyclohexyl-4-(1,2,4-triazol-1-ylmethyl)piperidin-1-yl]-1-oxopropan-2-yl]acetamide has a molecular weight of 487.05 g/mol, XLogP of 2.81, 8 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 2-amino-N-[3-(4-chlorophenyl)-1-[4-cyclohexyl-4-(1,2,4-triazol-1-ylmethyl)piperidin-1-yl]-1-oxopropan-2-yl]acetamide is sourced from PubChem (CID 22262690), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).