N-(3-acetylphenyl)-4-(cyclohexanecarbonylamino)piperidine-1-carboxamide

C21H29N3O3 — CID 24792518

IUPACN-(3-acetylphenyl)-4-(cyclohexanecarbonylamino)piperidine-1-carboxamide
SMILESCC(=O)c1cccc(NC(=O)N2CCC(NC(=O)C3CCCCC3)CC2)c1
InChIInChI=1S/C21H29N3O3/c1-15(25)17-8-5-9-19(14-17)23-21(27)24-12-10-18(11-13-24)22-20(26)16-6-3-2-4-7-16/h5,8-9,14,16,18H,2-4,6-7,10-13H2,1H3,(H,22,26)(H,23,27)
InChIKeyRBQYMPOBFQLPTJ-UHFFFAOYSA-N
MW371.48 g/mol
LogP3.58
Rot. Bonds4

About N-(3-acetylphenyl)-4-(cyclohexanecarbonylamino)piperidine-1-carboxamide

N-(3-acetylphenyl)-4-(cyclohexanecarbonylamino)piperidine-1-carboxamide (PubChem CID 24792518) has the molecular formula C21H29N3O3 and a molecular weight of 371.48 g/mol. Its IUPAC name is N-(3-acetylphenyl)-4-(cyclohexanecarbonylamino)piperidine-1-carboxamide.

Molecular Properties

Compound NameN-(3-acetylphenyl)-4-(cyclohexanecarbonylamino)piperidine-1-carboxamide
PubChem CID24792518
Molecular FormulaC21H29N3O3
Molecular Weight371.48 g/mol
Exact Mass371.22
IUPAC NameN-(3-acetylphenyl)-4-(cyclohexanecarbonylamino)piperidine-1-carboxamide
SMILESCC(=O)c1cccc(NC(=O)N2CCC(NC(=O)C3CCCCC3)CC2)c1
InChIInChI=1S/C21H29N3O3/c1-15(25)17-8-5-9-19(14-17)23-21(27)24-12-10-18(11-13-24)22-20(26)16-6-3-2-4-7-16/h5,8-9,14,16,18H,2-4,6-7,10-13H2,1H3,(H,22,26)(H,23,27)
InChIKeyRBQYMPOBFQLPTJ-UHFFFAOYSA-N
XLogP3.58
TPSA78.51 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500371.48
LogP ≤ 53.58
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

(3R)-1-[(3-acetylphenyl)carbamoyl]piperidine-3-carboxylic acid
CID 28512783
N-(4-bromophenyl)-4-(cyclohexanecarbonylamino)piperidine-1-carboxamide
CID 127145539
3-acetamido-N-[1-(cyclohexanecarbonyl)piperidin-4-yl]benzamide
CID 108553808
N-(3-acetylphenyl)-4-[(4-methoxybenzoyl)amino]piperidine-1-carboxamide
CID 43814135
N-[3-(cyclohexylcarbamoyl)phenyl]-4-(propan-2-ylsulfonylamino)piperidine-1-carboxamide
CID 20629792
4-(cyclohexanecarbonylamino)-N-[4-(methoxymethyl)phenyl]piperidine-1-carboxamide
CID 119049838
N-[1-(3-methylbenzoyl)piperidin-4-yl]cyclopentanecarboxamide
CID 110820278
N-(3-acetylphenyl)-3-hydroxy-4-methylpiperidine-1-carboxamide
CID 103896288
4-(3-acetamidobenzoyl)-N-cyclopentylpiperazine-1-carboxamide
CID 110812202
N-(1-benzoylpiperidin-4-yl)cyclopentanecarboxamide
CID 110820191
N-cyclopentyl-1-[3-(2,2-dimethylpropanoylamino)benzoyl]piperidine-3-carboxamide
CID 50829342
4-N-cyclohexyl-1-N-(4-methoxyphenyl)piperidine-1,4-dicarboxamide
CID 6486998

Frequently Asked Questions

What is the IUPAC name of N-(3-acetylphenyl)-4-(cyclohexanecarbonylamino)piperidine-1-carboxamide?
The IUPAC name of N-(3-acetylphenyl)-4-(cyclohexanecarbonylamino)piperidine-1-carboxamide (CID 24792518) is N-(3-acetylphenyl)-4-(cyclohexanecarbonylamino)piperidine-1-carboxamide.
What is the SMILES notation for N-(3-acetylphenyl)-4-(cyclohexanecarbonylamino)piperidine-1-carboxamide?
The canonical SMILES for N-(3-acetylphenyl)-4-(cyclohexanecarbonylamino)piperidine-1-carboxamide is CC(=O)c1cccc(NC(=O)N2CCC(NC(=O)C3CCCCC3)CC2)c1.
What is the InChIKey of N-(3-acetylphenyl)-4-(cyclohexanecarbonylamino)piperidine-1-carboxamide?
The InChIKey is RBQYMPOBFQLPTJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H29N3O3/c1-15(25)17-8-5-9-19(14-17)23-21(27)24-12-10-18(11-13-24)22-20(26)16-6-3-2-4-7-16/h5,8-9,14,16,18H,2-4,6-7,10-13H2,1H3,(H,22,26)(H,23,27).
What are the key properties of N-(3-acetylphenyl)-4-(cyclohexanecarbonylamino)piperidine-1-carboxamide?
N-(3-acetylphenyl)-4-(cyclohexanecarbonylamino)piperidine-1-carboxamide has a molecular weight of 371.48 g/mol, XLogP of 3.58, 4 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-(3-acetylphenyl)-4-(cyclohexanecarbonylamino)piperidine-1-carboxamide is sourced from PubChem (CID 24792518), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).