3-acetamido-N-[1-(cyclohexanecarbonyl)piperidin-4-yl]benzamide

C21H29N3O3 — CID 108553808

IUPAC3-acetamido-N-[1-(cyclohexanecarbonyl)piperidin-4-yl]benzamide
SMILESCC(=O)Nc1cccc(C(=O)NC2CCN(C(=O)C3CCCCC3)CC2)c1
InChIInChI=1S/C21H29N3O3/c1-15(25)22-19-9-5-8-17(14-19)20(26)23-18-10-12-24(13-11-18)21(27)16-6-3-2-4-7-16/h5,8-9,14,16,18H,2-4,6-7,10-13H2,1H3,(H,22,25)(H,23,26)
InChIKeyBMNAFOSAPWAOAG-UHFFFAOYSA-N
MW371.48 g/mol
LogP2.95
Rot. Bonds4

About 3-acetamido-N-[1-(cyclohexanecarbonyl)piperidin-4-yl]benzamide

3-acetamido-N-[1-(cyclohexanecarbonyl)piperidin-4-yl]benzamide (PubChem CID 108553808) has the molecular formula C21H29N3O3 and a molecular weight of 371.48 g/mol. Its IUPAC name is 3-acetamido-N-[1-(cyclohexanecarbonyl)piperidin-4-yl]benzamide.

Molecular Properties

Compound Name3-acetamido-N-[1-(cyclohexanecarbonyl)piperidin-4-yl]benzamide
PubChem CID108553808
Molecular FormulaC21H29N3O3
Molecular Weight371.48 g/mol
Exact Mass371.22
IUPAC Name3-acetamido-N-[1-(cyclohexanecarbonyl)piperidin-4-yl]benzamide
SMILESCC(=O)Nc1cccc(C(=O)NC2CCN(C(=O)C3CCCCC3)CC2)c1
InChIInChI=1S/C21H29N3O3/c1-15(25)22-19-9-5-8-17(14-19)20(26)23-18-10-12-24(13-11-18)21(27)16-6-3-2-4-7-16/h5,8-9,14,16,18H,2-4,6-7,10-13H2,1H3,(H,22,25)(H,23,26)
InChIKeyBMNAFOSAPWAOAG-UHFFFAOYSA-N
XLogP2.95
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 ≤ 52.95
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

3-chloro-N-[1-(cyclohexanecarbonyl)piperidin-4-yl]benzamide
CID 46463549
ethyl 4-[(3-acetamidobenzoyl)amino]piperidine-1-carboxylate
CID 9451154
3-acetamido-N-[1-(3-methoxypropanoyl)piperidin-4-yl]benzamide
CID 108553862
N-(3-acetylphenyl)-4-(cyclohexanecarbonylamino)piperidine-1-carboxamide
CID 24792518
N-[1-(3-acetamidobenzoyl)piperidin-4-yl]-3,5-dihydroxybenzamide
CID 108558184
1-[1-(cyclohexanecarbonyl)piperidin-4-yl]-3-(3-methylphenyl)thiourea
CID 43075817
N-[1-(cyclohexanecarbonyl)piperidin-4-yl]-3-(cyclopropylsulfamoyl)benzamide
CID 55690965
3-acetamido-N-(4-hydroxycyclohexyl)benzamide
CID 43389328
N-[1-(3-acetamidobenzoyl)piperidin-4-yl]-4-fluorobenzamide
CID 32508951
3-acetamido-N-[1-(2,5-dichlorobenzoyl)piperidin-4-yl]benzamide
CID 108553848
3-acetamido-N-(1-pyrimidin-2-ylpiperidin-4-yl)benzamide
CID 110741981
1-N-(3-acetylphenyl)-3-N-cyclopentylbenzene-1,3-dicarboxamide
CID 109051927

Frequently Asked Questions

What is the IUPAC name of 3-acetamido-N-[1-(cyclohexanecarbonyl)piperidin-4-yl]benzamide?
The IUPAC name of 3-acetamido-N-[1-(cyclohexanecarbonyl)piperidin-4-yl]benzamide (CID 108553808) is 3-acetamido-N-[1-(cyclohexanecarbonyl)piperidin-4-yl]benzamide.
What is the SMILES notation for 3-acetamido-N-[1-(cyclohexanecarbonyl)piperidin-4-yl]benzamide?
The canonical SMILES for 3-acetamido-N-[1-(cyclohexanecarbonyl)piperidin-4-yl]benzamide is CC(=O)Nc1cccc(C(=O)NC2CCN(C(=O)C3CCCCC3)CC2)c1.
What is the InChIKey of 3-acetamido-N-[1-(cyclohexanecarbonyl)piperidin-4-yl]benzamide?
The InChIKey is BMNAFOSAPWAOAG-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H29N3O3/c1-15(25)22-19-9-5-8-17(14-19)20(26)23-18-10-12-24(13-11-18)21(27)16-6-3-2-4-7-16/h5,8-9,14,16,18H,2-4,6-7,10-13H2,1H3,(H,22,25)(H,23,26).
What are the key properties of 3-acetamido-N-[1-(cyclohexanecarbonyl)piperidin-4-yl]benzamide?
3-acetamido-N-[1-(cyclohexanecarbonyl)piperidin-4-yl]benzamide has a molecular weight of 371.48 g/mol, XLogP of 2.95, 4 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-acetamido-N-[1-(cyclohexanecarbonyl)piperidin-4-yl]benzamide is sourced from PubChem (CID 108553808), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).