4-[(1-benzoylpiperidine-3-carbonyl)amino]cyclohexane-1-carboxylic acid

C20H26N2O4 — CID 119229696

IUPAC4-[(1-benzoylpiperidine-3-carbonyl)amino]cyclohexane-1-carboxylic acid
SMILESO=C(O)C1CCC(NC(=O)C2CCCN(C(=O)c3ccccc3)C2)CC1
InChIInChI=1S/C20H26N2O4/c23-18(21-17-10-8-15(9-11-17)20(25)26)16-7-4-12-22(13-16)19(24)14-5-2-1-3-6-14/h1-3,5-6,15-17H,4,7-13H2,(H,21,23)(H,25,26)
InChIKeyCYFCNZACLWTOFK-UHFFFAOYSA-N
MW358.44 g/mol
LogP2.30
Rot. Bonds4

About 4-[(1-benzoylpiperidine-3-carbonyl)amino]cyclohexane-1-carboxylic acid

4-[(1-benzoylpiperidine-3-carbonyl)amino]cyclohexane-1-carboxylic acid (PubChem CID 119229696) has the molecular formula C20H26N2O4 and a molecular weight of 358.44 g/mol. Its IUPAC name is 4-[(1-benzoylpiperidine-3-carbonyl)amino]cyclohexane-1-carboxylic acid.

Molecular Properties

Compound Name4-[(1-benzoylpiperidine-3-carbonyl)amino]cyclohexane-1-carboxylic acid
PubChem CID119229696
Molecular FormulaC20H26N2O4
Molecular Weight358.44 g/mol
Exact Mass358.19
IUPAC Name4-[(1-benzoylpiperidine-3-carbonyl)amino]cyclohexane-1-carboxylic acid
SMILESO=C(O)C1CCC(NC(=O)C2CCCN(C(=O)c3ccccc3)C2)CC1
InChIInChI=1S/C20H26N2O4/c23-18(21-17-10-8-15(9-11-17)20(25)26)16-7-4-12-22(13-16)19(24)14-5-2-1-3-6-14/h1-3,5-6,15-17H,4,7-13H2,(H,21,23)(H,25,26)
InChIKeyCYFCNZACLWTOFK-UHFFFAOYSA-N
XLogP2.30
TPSA86.71 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500358.44
LogP ≤ 52.30
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

1-benzoyl-N-(4-hydroxycyclohexyl)piperidine-3-carboxamide
CID 69258968
1-benzoyl-N-pyrrolidin-3-ylpiperidine-3-carboxamide;hydrochloride
CID 119453805
(3R)-N-(1-benzoylpiperidin-4-yl)-1-propanoylpiperidine-3-carboxamide
CID 52523476
N-(1-benzoylpiperidin-4-yl)cyclopentanecarboxamide
CID 110820191
(3R)-N-cyclopentyl-1-(4-fluorobenzoyl)piperidine-3-carboxamide
CID 25392682
ethyl (3R)-3-[(1-benzoylpiperidin-4-yl)carbamoyl]piperidine-1-carboxylate
CID 51725856
N-[2-(aminomethyl)cyclohexyl]-1-benzoylpiperidine-3-carboxamide
CID 119612151
N-cyclohexyl-1-(3-methylbenzoyl)piperidine-3-carboxamide
CID 50803988
N-[(3S)-1-benzoylpiperidin-3-yl]oxane-4-carboxamide
CID 95567400
1-(4-chlorobenzoyl)-N-[1-(cyclopropanecarbonyl)piperidin-4-yl]piperidine-3-carboxamide
CID 42943350
N-(1-benzylpiperidin-4-yl)-1-(4-methylbenzoyl)piperidine-3-carboxamide
CID 46404586
1-benzoyl-N-(1-hydroxy-2-methylpropan-2-yl)piperidine-3-carboxamide
CID 110000883

Frequently Asked Questions

What is the IUPAC name of 4-[(1-benzoylpiperidine-3-carbonyl)amino]cyclohexane-1-carboxylic acid?
The IUPAC name of 4-[(1-benzoylpiperidine-3-carbonyl)amino]cyclohexane-1-carboxylic acid (CID 119229696) is 4-[(1-benzoylpiperidine-3-carbonyl)amino]cyclohexane-1-carboxylic acid.
What is the SMILES notation for 4-[(1-benzoylpiperidine-3-carbonyl)amino]cyclohexane-1-carboxylic acid?
The canonical SMILES for 4-[(1-benzoylpiperidine-3-carbonyl)amino]cyclohexane-1-carboxylic acid is O=C(O)C1CCC(NC(=O)C2CCCN(C(=O)c3ccccc3)C2)CC1.
What is the InChIKey of 4-[(1-benzoylpiperidine-3-carbonyl)amino]cyclohexane-1-carboxylic acid?
The InChIKey is CYFCNZACLWTOFK-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H26N2O4/c23-18(21-17-10-8-15(9-11-17)20(25)26)16-7-4-12-22(13-16)19(24)14-5-2-1-3-6-14/h1-3,5-6,15-17H,4,7-13H2,(H,21,23)(H,25,26).
What are the key properties of 4-[(1-benzoylpiperidine-3-carbonyl)amino]cyclohexane-1-carboxylic acid?
4-[(1-benzoylpiperidine-3-carbonyl)amino]cyclohexane-1-carboxylic acid has a molecular weight of 358.44 g/mol, XLogP of 2.30, 4 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[(1-benzoylpiperidine-3-carbonyl)amino]cyclohexane-1-carboxylic acid is sourced from PubChem (CID 119229696), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).