4-benzamido-N-(2,6-dimethylphenyl)piperidine-1-carboxamide

C21H25N3O2 — CID 43814093

IUPAC4-benzamido-N-(2,6-dimethylphenyl)piperidine-1-carboxamide
SMILESCc1cccc(C)c1NC(=O)N1CCC(NC(=O)c2ccccc2)CC1
InChIInChI=1S/C21H25N3O2/c1-15-7-6-8-16(2)19(15)23-21(26)24-13-11-18(12-14-24)22-20(25)17-9-4-3-5-10-17/h3-10,18H,11-14H2,1-2H3,(H,22,25)(H,23,26)
InChIKeySHJRATCLNCAIDW-UHFFFAOYSA-N
MW351.45 g/mol
LogP3.73
Rot. Bonds3

About 4-benzamido-N-(2,6-dimethylphenyl)piperidine-1-carboxamide

4-benzamido-N-(2,6-dimethylphenyl)piperidine-1-carboxamide (PubChem CID 43814093) has the molecular formula C21H25N3O2 and a molecular weight of 351.45 g/mol. Its IUPAC name is 4-benzamido-N-(2,6-dimethylphenyl)piperidine-1-carboxamide.

Molecular Properties

Compound Name4-benzamido-N-(2,6-dimethylphenyl)piperidine-1-carboxamide
PubChem CID43814093
Molecular FormulaC21H25N3O2
Molecular Weight351.45 g/mol
Exact Mass351.19
IUPAC Name4-benzamido-N-(2,6-dimethylphenyl)piperidine-1-carboxamide
SMILESCc1cccc(C)c1NC(=O)N1CCC(NC(=O)c2ccccc2)CC1
InChIInChI=1S/C21H25N3O2/c1-15-7-6-8-16(2)19(15)23-21(26)24-13-11-18(12-14-24)22-20(25)17-9-4-3-5-10-17/h3-10,18H,11-14H2,1-2H3,(H,22,25)(H,23,26)
InChIKeySHJRATCLNCAIDW-UHFFFAOYSA-N
XLogP3.73
TPSA61.44 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500351.45
LogP ≤ 53.73
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Related Compounds

4-benzamido-N-(3-methylphenyl)piperidine-1-carboxamide
CID 43814049
N-[1-[(2,3-dimethylphenyl)carbamothioyl]piperidin-4-yl]benzamide
CID 3218722
4-(4-benzamidopiperidine-1-carbonyl)-N-phenylpiperidine-1-carboxamide
CID 33308938
4-benzamido-N-(2,3-difluorophenyl)piperidine-1-carboxamide
CID 86856267
ethyl 4-benzamidopiperidine-1-carboxylate
CID 18120666
4-[(3-chlorobenzoyl)amino]-N-phenylpiperidine-1-carboxamide
CID 44754288
4-[(3-methoxybenzoyl)amino]-N-phenylpiperidine-1-carboxamide
CID 43814029
(3R)-N-(2,6-dimethylphenyl)-3-hydroxypyrrolidine-1-carboxamide
CID 111431144
methyl 2-[(4-benzamidopiperidine-1-carbonyl)amino]acetate
CID 142124553
ethane;N-(1-methylpiperidin-4-yl)benzamide
CID 142009687
N-[1-(4-methylpiperazine-1-carbonyl)piperidin-4-yl]benzamide
CID 11674340
N-[1-[2-(methylamino)acetyl]piperidin-4-yl]benzamide
CID 119698218

Frequently Asked Questions

What is the IUPAC name of 4-benzamido-N-(2,6-dimethylphenyl)piperidine-1-carboxamide?
The IUPAC name of 4-benzamido-N-(2,6-dimethylphenyl)piperidine-1-carboxamide (CID 43814093) is 4-benzamido-N-(2,6-dimethylphenyl)piperidine-1-carboxamide.
What is the SMILES notation for 4-benzamido-N-(2,6-dimethylphenyl)piperidine-1-carboxamide?
The canonical SMILES for 4-benzamido-N-(2,6-dimethylphenyl)piperidine-1-carboxamide is Cc1cccc(C)c1NC(=O)N1CCC(NC(=O)c2ccccc2)CC1.
What is the InChIKey of 4-benzamido-N-(2,6-dimethylphenyl)piperidine-1-carboxamide?
The InChIKey is SHJRATCLNCAIDW-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H25N3O2/c1-15-7-6-8-16(2)19(15)23-21(26)24-13-11-18(12-14-24)22-20(25)17-9-4-3-5-10-17/h3-10,18H,11-14H2,1-2H3,(H,22,25)(H,23,26).
What are the key properties of 4-benzamido-N-(2,6-dimethylphenyl)piperidine-1-carboxamide?
4-benzamido-N-(2,6-dimethylphenyl)piperidine-1-carboxamide has a molecular weight of 351.45 g/mol, XLogP of 3.73, 3 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 4-benzamido-N-(2,6-dimethylphenyl)piperidine-1-carboxamide is sourced from PubChem (CID 43814093), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).