1-[1-(2-aminobenzoyl)piperidin-4-yl]-3-cyclohexylurea

C19H28N4O2 — CID 119944988

IUPAC1-[1-(2-aminobenzoyl)piperidin-4-yl]-3-cyclohexylurea
SMILESNc1ccccc1C(=O)N1CCC(NC(=O)NC2CCCCC2)CC1
InChIInChI=1S/C19H28N4O2/c20-17-9-5-4-8-16(17)18(24)23-12-10-15(11-13-23)22-19(25)21-14-6-2-1-3-7-14/h4-5,8-9,14-15H,1-3,6-7,10-13,20H2,(H2,21,22,25)
InChIKeyZHDHLVSOKGXTMD-UHFFFAOYSA-N
MW344.46 g/mol
LogP2.51
Rot. Bonds3

About 1-[1-(2-aminobenzoyl)piperidin-4-yl]-3-cyclohexylurea

1-[1-(2-aminobenzoyl)piperidin-4-yl]-3-cyclohexylurea (PubChem CID 119944988) has the molecular formula C19H28N4O2 and a molecular weight of 344.46 g/mol. Its IUPAC name is 1-[1-(2-aminobenzoyl)piperidin-4-yl]-3-cyclohexylurea.

Molecular Properties

Compound Name1-[1-(2-aminobenzoyl)piperidin-4-yl]-3-cyclohexylurea
PubChem CID119944988
Molecular FormulaC19H28N4O2
Molecular Weight344.46 g/mol
Exact Mass344.22
IUPAC Name1-[1-(2-aminobenzoyl)piperidin-4-yl]-3-cyclohexylurea
SMILESNc1ccccc1C(=O)N1CCC(NC(=O)NC2CCCCC2)CC1
InChIInChI=1S/C19H28N4O2/c20-17-9-5-4-8-16(17)18(24)23-12-10-15(11-13-23)22-19(25)21-14-6-2-1-3-7-14/h4-5,8-9,14-15H,1-3,6-7,10-13,20H2,(H2,21,22,25)
InChIKeyZHDHLVSOKGXTMD-UHFFFAOYSA-N
XLogP2.51
TPSA87.46 Ų
H-Bond Donors3
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500344.46
LogP ≤ 52.51
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'aniline', 'substructure': 'N/A'}

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Related Compounds

[1-(2-aminobenzoyl)piperidin-4-yl]carbamic acid
CID 170325086
N-[1-(2-aminobenzoyl)piperidin-4-yl]cyclopropanecarboxamide
CID 60960262
1-cyclohexyl-3-[1-(2-methoxybenzoyl)piperidin-4-yl]urea
CID 127232346
1-[1-(2-aminobenzoyl)piperidin-4-yl]-3-(4-fluorophenyl)urea
CID 119944747
(2-aminophenyl)-piperidin-1-ylmethanone
CID 558730
(2-aminophenyl)-(azepan-1-yl)methanone
CID 726247
2-amino-N-[1-(2-fluorobenzoyl)piperidin-4-yl]benzamide
CID 119944331
(2-aminophenyl)-(4-cyclopentyloxypiperidin-1-yl)methanone;hydrochloride
CID 119945190
4-[4-(cyclohexylcarbamoylamino)piperidine-1-carbonyl]benzoic acid
CID 119182459
1-(2-aminobenzoyl)piperidine-4-carboxylic acid
CID 1211390
[(4aS,8aS)-3,4,4a,5,6,7,8,8a-octahydro-1H-isoquinolin-2-yl]-(2-aminophenyl)methanone
CID 28819844
(2-aminophenyl)-(4-cyclopentylpiperazin-1-yl)methanone;dihydrochloride
CID 119946429

Frequently Asked Questions

What is the IUPAC name of 1-[1-(2-aminobenzoyl)piperidin-4-yl]-3-cyclohexylurea?
The IUPAC name of 1-[1-(2-aminobenzoyl)piperidin-4-yl]-3-cyclohexylurea (CID 119944988) is 1-[1-(2-aminobenzoyl)piperidin-4-yl]-3-cyclohexylurea.
What is the SMILES notation for 1-[1-(2-aminobenzoyl)piperidin-4-yl]-3-cyclohexylurea?
The canonical SMILES for 1-[1-(2-aminobenzoyl)piperidin-4-yl]-3-cyclohexylurea is Nc1ccccc1C(=O)N1CCC(NC(=O)NC2CCCCC2)CC1.
What is the InChIKey of 1-[1-(2-aminobenzoyl)piperidin-4-yl]-3-cyclohexylurea?
The InChIKey is ZHDHLVSOKGXTMD-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H28N4O2/c20-17-9-5-4-8-16(17)18(24)23-12-10-15(11-13-23)22-19(25)21-14-6-2-1-3-7-14/h4-5,8-9,14-15H,1-3,6-7,10-13,20H2,(H2,21,22,25).
What are the key properties of 1-[1-(2-aminobenzoyl)piperidin-4-yl]-3-cyclohexylurea?
1-[1-(2-aminobenzoyl)piperidin-4-yl]-3-cyclohexylurea has a molecular weight of 344.46 g/mol, XLogP of 2.51, 3 rotatable bonds, 3 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[1-(2-aminobenzoyl)piperidin-4-yl]-3-cyclohexylurea is sourced from PubChem (CID 119944988), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).