4-[4-(cyclohexylcarbamoylamino)piperidine-1-carbonyl]benzoic acid

C20H27N3O4 — CID 119182459

IUPAC4-[4-(cyclohexylcarbamoylamino)piperidine-1-carbonyl]benzoic acid
SMILESO=C(NC1CCCCC1)NC1CCN(C(=O)c2ccc(C(=O)O)cc2)CC1
InChIInChI=1S/C20H27N3O4/c24-18(14-6-8-15(9-7-14)19(25)26)23-12-10-17(11-13-23)22-20(27)21-16-4-2-1-3-5-16/h6-9,16-17H,1-5,10-13H2,(H,25,26)(H2,21,22,27)
InChIKeyKZELRLJHIRHZOP-UHFFFAOYSA-N
MW373.45 g/mol
LogP2.62
Rot. Bonds4

About 4-[4-(cyclohexylcarbamoylamino)piperidine-1-carbonyl]benzoic acid

4-[4-(cyclohexylcarbamoylamino)piperidine-1-carbonyl]benzoic acid (PubChem CID 119182459) has the molecular formula C20H27N3O4 and a molecular weight of 373.45 g/mol. Its IUPAC name is 4-[4-(cyclohexylcarbamoylamino)piperidine-1-carbonyl]benzoic acid.

Molecular Properties

Compound Name4-[4-(cyclohexylcarbamoylamino)piperidine-1-carbonyl]benzoic acid
PubChem CID119182459
Molecular FormulaC20H27N3O4
Molecular Weight373.45 g/mol
Exact Mass373.20
IUPAC Name4-[4-(cyclohexylcarbamoylamino)piperidine-1-carbonyl]benzoic acid
SMILESO=C(NC1CCCCC1)NC1CCN(C(=O)c2ccc(C(=O)O)cc2)CC1
InChIInChI=1S/C20H27N3O4/c24-18(14-6-8-15(9-7-14)19(25)26)23-12-10-17(11-13-23)22-20(27)21-16-4-2-1-3-5-16/h6-9,16-17H,1-5,10-13H2,(H,25,26)(H2,21,22,27)
InChIKeyKZELRLJHIRHZOP-UHFFFAOYSA-N
XLogP2.62
TPSA98.74 Ų
H-Bond Donors3
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500373.45
LogP ≤ 52.62
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 103

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Related Compounds

1-[1-[4-(aminomethyl)benzoyl]piperidin-4-yl]-3-cyclohexylurea
CID 119304281
4-[[1-(4-methylbenzoyl)piperidin-4-yl]carbamoyl]benzoic acid
CID 119183945
4-(cyclooctylcarbamoylamino)benzoic acid
CID 61181422
N-(1-benzoylpiperidin-4-yl)cyclopentanecarboxamide
CID 110820191
1-[1-(2-aminobenzoyl)piperidin-4-yl]-3-cyclohexylurea
CID 119944988
[1-(4-chlorobenzoyl)piperidin-4-yl]carbamic acid
CID 154188443
N-cyclohexyl-4-(4-methylpiperazine-1-carbonyl)benzamide
CID 109044727
1-[1-(4-chlorobenzoyl)piperidin-4-yl]-3-propan-2-ylurea
CID 110821055
1-cyclohexyl-3-[[1-(pyridine-4-carbonyl)piperidin-4-yl]methyl]urea
CID 121108676
N-cyclopentyl-1-[4-(trifluoromethyl)benzoyl]piperidine-4-carboxamide
CID 26017391
4-(pyrrolidine-1-carbonyl)benzoic acid
CID 10932939
benzyl N-[1-[4-(trifluoromethyl)benzoyl]piperidin-4-yl]carbamate
CID 108567300

Frequently Asked Questions

What is the IUPAC name of 4-[4-(cyclohexylcarbamoylamino)piperidine-1-carbonyl]benzoic acid?
The IUPAC name of 4-[4-(cyclohexylcarbamoylamino)piperidine-1-carbonyl]benzoic acid (CID 119182459) is 4-[4-(cyclohexylcarbamoylamino)piperidine-1-carbonyl]benzoic acid.
What is the SMILES notation for 4-[4-(cyclohexylcarbamoylamino)piperidine-1-carbonyl]benzoic acid?
The canonical SMILES for 4-[4-(cyclohexylcarbamoylamino)piperidine-1-carbonyl]benzoic acid is O=C(NC1CCCCC1)NC1CCN(C(=O)c2ccc(C(=O)O)cc2)CC1.
What is the InChIKey of 4-[4-(cyclohexylcarbamoylamino)piperidine-1-carbonyl]benzoic acid?
The InChIKey is KZELRLJHIRHZOP-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H27N3O4/c24-18(14-6-8-15(9-7-14)19(25)26)23-12-10-17(11-13-23)22-20(27)21-16-4-2-1-3-5-16/h6-9,16-17H,1-5,10-13H2,(H,25,26)(H2,21,22,27).
What are the key properties of 4-[4-(cyclohexylcarbamoylamino)piperidine-1-carbonyl]benzoic acid?
4-[4-(cyclohexylcarbamoylamino)piperidine-1-carbonyl]benzoic acid has a molecular weight of 373.45 g/mol, XLogP of 2.62, 4 rotatable bonds, 3 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[4-(cyclohexylcarbamoylamino)piperidine-1-carbonyl]benzoic acid is sourced from PubChem (CID 119182459), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).