4-[[1-(4-methylbenzoyl)piperidin-4-yl]carbamoyl]cyclohexane-1-carboxylic acid

C21H28N2O4 — CID 120673425

IUPAC4-[[1-(4-methylbenzoyl)piperidin-4-yl]carbamoyl]cyclohexane-1-carboxylic acid
SMILESCc1ccc(C(=O)N2CCC(NC(=O)C3CCC(C(=O)O)CC3)CC2)cc1
InChIInChI=1S/C21H28N2O4/c1-14-2-4-16(5-3-14)20(25)23-12-10-18(11-13-23)22-19(24)15-6-8-17(9-7-15)21(26)27/h2-5,15,17-18H,6-13H2,1H3,(H,22,24)(H,26,27)
InChIKeyXWZXUMBWJXRSLK-UHFFFAOYSA-N
MW372.47 g/mol
LogP2.61
Rot. Bonds4

About 4-[[1-(4-methylbenzoyl)piperidin-4-yl]carbamoyl]cyclohexane-1-carboxylic acid

4-[[1-(4-methylbenzoyl)piperidin-4-yl]carbamoyl]cyclohexane-1-carboxylic acid (PubChem CID 120673425) has the molecular formula C21H28N2O4 and a molecular weight of 372.47 g/mol. Its IUPAC name is 4-[[1-(4-methylbenzoyl)piperidin-4-yl]carbamoyl]cyclohexane-1-carboxylic acid.

Molecular Properties

Compound Name4-[[1-(4-methylbenzoyl)piperidin-4-yl]carbamoyl]cyclohexane-1-carboxylic acid
PubChem CID120673425
Molecular FormulaC21H28N2O4
Molecular Weight372.47 g/mol
Exact Mass372.20
IUPAC Name4-[[1-(4-methylbenzoyl)piperidin-4-yl]carbamoyl]cyclohexane-1-carboxylic acid
SMILESCc1ccc(C(=O)N2CCC(NC(=O)C3CCC(C(=O)O)CC3)CC2)cc1
InChIInChI=1S/C21H28N2O4/c1-14-2-4-16(5-3-14)20(25)23-12-10-18(11-13-23)22-19(24)15-6-8-17(9-7-15)21(26)27/h2-5,15,17-18H,6-13H2,1H3,(H,22,24)(H,26,27)
InChIKeyXWZXUMBWJXRSLK-UHFFFAOYSA-N
XLogP2.61
TPSA86.71 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500372.47
LogP ≤ 52.61
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Analyze 4-[[1-(4-methylbenzoyl)piperidin-4-yl]carbamoyl]cyclohexane-1-carboxylic acid with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

N-[1-(4-methylbenzoyl)piperidin-4-yl]cyclobutanecarboxamide
CID 110820327
1-[[1-(4-methylbenzoyl)piperidin-4-yl]carbamoyl]pyrrolidine-3-carboxylic acid
CID 122000335
2-[[1-(4-methylbenzoyl)piperidin-4-yl]carbamoyl]cyclopropane-1-carboxylic acid
CID 119183943
4-[[1-(4-methylbenzoyl)piperidin-4-yl]carbamoyl]benzoic acid
CID 119183945
4-[4-(4-methylbenzoyl)piperazine-1-carbonyl]cyclohexane-1-carboxylic acid
CID 120672880
N-(1-benzoylpiperidin-4-yl)cyclopentanecarboxamide
CID 110820191
1-[4-(cyclopropylcarbamoyl)benzoyl]piperidine-4-carboxylic acid
CID 120512373
1-(4-chlorobenzoyl)-N-cyclopropylpiperidine-4-carboxamide
CID 1072789
N-[1-[4-[5-(3-methylphenyl)-1,3,4-oxadiazol-2-yl]benzoyl]piperidin-4-yl]cyclopropanecarboxamide
CID 46446205
N-[1-(3-methylbenzoyl)piperidin-4-yl]cyclopentanecarboxamide
CID 110820278
tert-butyl N-[4-[4-(cyclopropanecarbonylamino)piperidine-1-carbonyl]phenyl]carbamate
CID 46443258
[3-(methylamino)pyrrolidin-1-yl]-(4-methylphenyl)methanone
CID 81467156

Frequently Asked Questions

What is the IUPAC name of 4-[[1-(4-methylbenzoyl)piperidin-4-yl]carbamoyl]cyclohexane-1-carboxylic acid?
The IUPAC name of 4-[[1-(4-methylbenzoyl)piperidin-4-yl]carbamoyl]cyclohexane-1-carboxylic acid (CID 120673425) is 4-[[1-(4-methylbenzoyl)piperidin-4-yl]carbamoyl]cyclohexane-1-carboxylic acid.
What is the SMILES notation for 4-[[1-(4-methylbenzoyl)piperidin-4-yl]carbamoyl]cyclohexane-1-carboxylic acid?
The canonical SMILES for 4-[[1-(4-methylbenzoyl)piperidin-4-yl]carbamoyl]cyclohexane-1-carboxylic acid is Cc1ccc(C(=O)N2CCC(NC(=O)C3CCC(C(=O)O)CC3)CC2)cc1.
What is the InChIKey of 4-[[1-(4-methylbenzoyl)piperidin-4-yl]carbamoyl]cyclohexane-1-carboxylic acid?
The InChIKey is XWZXUMBWJXRSLK-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H28N2O4/c1-14-2-4-16(5-3-14)20(25)23-12-10-18(11-13-23)22-19(24)15-6-8-17(9-7-15)21(26)27/h2-5,15,17-18H,6-13H2,1H3,(H,22,24)(H,26,27).
What are the key properties of 4-[[1-(4-methylbenzoyl)piperidin-4-yl]carbamoyl]cyclohexane-1-carboxylic acid?
4-[[1-(4-methylbenzoyl)piperidin-4-yl]carbamoyl]cyclohexane-1-carboxylic acid has a molecular weight of 372.47 g/mol, XLogP of 2.61, 4 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[[1-(4-methylbenzoyl)piperidin-4-yl]carbamoyl]cyclohexane-1-carboxylic acid is sourced from PubChem (CID 120673425), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).