1-[2-amino-3-(4-chlorophenyl)propanoyl]-4-cyclohexyl-N-(2-methyl-1H-imidazol-5-yl)piperidine-4-carboxamide

C25H34ClN5O2 — CID 90957202

IUPAC1-[2-amino-3-(4-chlorophenyl)propanoyl]-4-cyclohexyl-N-(2-methyl-1H-imidazol-5-yl)piperidine-4-carboxamide
SMILESCc1ncc(NC(=O)C2(C3CCCCC3)CCN(C(=O)C(N)Cc3ccc(Cl)cc3)CC2)[nH]1
InChIInChI=1S/C25H34ClN5O2/c1-17-28-16-22(29-17)30-24(33)25(19-5-3-2-4-6-19)11-13-31(14-12-25)23(32)21(27)15-18-7-9-20(26)10-8-18/h7-10,16,19,21H,2-6,11-15,27H2,1H3,(H,28,29)(H,30,33)
InChIKeyCOZYOARRQMQPLA-UHFFFAOYSA-N
MW472.03 g/mol
LogP4.07
Rot. Bonds6

About 1-[2-amino-3-(4-chlorophenyl)propanoyl]-4-cyclohexyl-N-(2-methyl-1H-imidazol-5-yl)piperidine-4-carboxamide

1-[2-amino-3-(4-chlorophenyl)propanoyl]-4-cyclohexyl-N-(2-methyl-1H-imidazol-5-yl)piperidine-4-carboxamide (PubChem CID 90957202) has the molecular formula C25H34ClN5O2 and a molecular weight of 472.03 g/mol. Its IUPAC name is 1-[2-amino-3-(4-chlorophenyl)propanoyl]-4-cyclohexyl-N-(2-methyl-1H-imidazol-5-yl)piperidine-4-carboxamide.

Molecular Properties

Compound Name1-[2-amino-3-(4-chlorophenyl)propanoyl]-4-cyclohexyl-N-(2-methyl-1H-imidazol-5-yl)piperidine-4-carboxamide
PubChem CID90957202
Molecular FormulaC25H34ClN5O2
Molecular Weight472.03 g/mol
Exact Mass471.24
IUPAC Name1-[2-amino-3-(4-chlorophenyl)propanoyl]-4-cyclohexyl-N-(2-methyl-1H-imidazol-5-yl)piperidine-4-carboxamide
SMILESCc1ncc(NC(=O)C2(C3CCCCC3)CCN(C(=O)C(N)Cc3ccc(Cl)cc3)CC2)[nH]1
InChIInChI=1S/C25H34ClN5O2/c1-17-28-16-22(29-17)30-24(33)25(19-5-3-2-4-6-19)11-13-31(14-12-25)23(32)21(27)15-18-7-9-20(26)10-8-18/h7-10,16,19,21H,2-6,11-15,27H2,1H3,(H,28,29)(H,30,33)
InChIKeyCOZYOARRQMQPLA-UHFFFAOYSA-N
XLogP4.07
TPSA104.11 Ų
H-Bond Donors3
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms33
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500472.03
LogP ≤ 54.07
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 104

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Related Compounds

(2S)-N-[(2R)-3-(4-chlorophenyl)-1-[4-(cyclobutylcarbamoyl)-4-cyclohexylpiperidin-1-yl]-1-oxopropan-2-yl]-1-methylpiperazine-2-carboxamide
CID 10231671
(2R)-2-amino-3-(4-chlorophenyl)-1-[4-(1H-imidazol-2-yl)piperidin-1-yl]propan-1-one
CID 70731117
(2R)-2-amino-3-(4-methylphenyl)-1-piperidin-1-ylpropan-1-one
CID 59968912
N-[1-(4-acetyl-4-cyclohexylpiperidin-1-yl)-3-(4-chlorophenyl)-1-oxopropan-2-yl]-1,4-dimethylpiperazine-2-carboxamide
CID 23388644
2-amino-3-(4-chlorophenyl)-1-(4-iodopiperazin-1-yl)propan-1-one
CID 143338881
N-tert-butyl-4-cyclohexyl-1-[(2R)-3-(4-fluorophenyl)-2-methylpropanoyl]piperidine-4-carboxamide
CID 59877493
N-tert-butyl-1-[(3R)-4-(4-chlorophenyl)-3-[[(3S)-piperidine-3-carbonyl]amino]butanoyl]-4-cyclohexylpiperidine-4-carboxamide;hydrochloride
CID 162330779
(2R)-N-[(2R)-1-[4-(tert-butylcarbamoyl)-4-cyclohexylpiperidin-1-yl]-3-(4-chlorophenyl)-1-oxopropan-2-yl]-4-methylpiperazine-2-carboxamide
CID 10120800
N-[(2R)-1-[4-(tert-butylcarbamoyl)-4-cyclohexylpiperidin-1-yl]-3-(4-chlorophenyl)-1-oxopropan-2-yl]-4,5-bis(ethenyl)-1,2,3,6-tetrahydropyridine-2-carboxamide;ethane
CID 142031635
2-amino-3-(4-chlorophenyl)-1-[4-(7H-pyrrolo[2,3-d]pyrimidin-4-yl)piperazin-1-yl]propan-1-one
CID 59395903
N-[3-(4-chlorophenyl)-1-[4-cyclohexyl-4-(dimethylcarbamoyl)piperidin-1-yl]-1-oxopropan-2-yl]-1,2,3,4-tetrahydroisoquinoline-3-carboxamide
CID 22949144
N-tert-butyl-1-[3-(4-chlorophenyl)-2-[[2-(5,6,7,8-tetrahydropyrido[3,4-b]pyrazin-5-yl)acetyl]amino]propanoyl]-4-cyclohexylpiperidine-4-carboxamide
CID 22949107

Frequently Asked Questions

What is the IUPAC name of 1-[2-amino-3-(4-chlorophenyl)propanoyl]-4-cyclohexyl-N-(2-methyl-1H-imidazol-5-yl)piperidine-4-carboxamide?
The IUPAC name of 1-[2-amino-3-(4-chlorophenyl)propanoyl]-4-cyclohexyl-N-(2-methyl-1H-imidazol-5-yl)piperidine-4-carboxamide (CID 90957202) is 1-[2-amino-3-(4-chlorophenyl)propanoyl]-4-cyclohexyl-N-(2-methyl-1H-imidazol-5-yl)piperidine-4-carboxamide.
What is the SMILES notation for 1-[2-amino-3-(4-chlorophenyl)propanoyl]-4-cyclohexyl-N-(2-methyl-1H-imidazol-5-yl)piperidine-4-carboxamide?
The canonical SMILES for 1-[2-amino-3-(4-chlorophenyl)propanoyl]-4-cyclohexyl-N-(2-methyl-1H-imidazol-5-yl)piperidine-4-carboxamide is Cc1ncc(NC(=O)C2(C3CCCCC3)CCN(C(=O)C(N)Cc3ccc(Cl)cc3)CC2)[nH]1.
What is the InChIKey of 1-[2-amino-3-(4-chlorophenyl)propanoyl]-4-cyclohexyl-N-(2-methyl-1H-imidazol-5-yl)piperidine-4-carboxamide?
The InChIKey is COZYOARRQMQPLA-UHFFFAOYSA-N. The full InChI is InChI=1S/C25H34ClN5O2/c1-17-28-16-22(29-17)30-24(33)25(19-5-3-2-4-6-19)11-13-31(14-12-25)23(32)21(27)15-18-7-9-20(26)10-8-18/h7-10,16,19,21H,2-6,11-15,27H2,1H3,(H,28,29)(H,30,33).
What are the key properties of 1-[2-amino-3-(4-chlorophenyl)propanoyl]-4-cyclohexyl-N-(2-methyl-1H-imidazol-5-yl)piperidine-4-carboxamide?
1-[2-amino-3-(4-chlorophenyl)propanoyl]-4-cyclohexyl-N-(2-methyl-1H-imidazol-5-yl)piperidine-4-carboxamide has a molecular weight of 472.03 g/mol, XLogP of 4.07, 6 rotatable bonds, 3 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[2-amino-3-(4-chlorophenyl)propanoyl]-4-cyclohexyl-N-(2-methyl-1H-imidazol-5-yl)piperidine-4-carboxamide is sourced from PubChem (CID 90957202), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).