3-[[(2-chlorobenzoyl)amino]methyl]-N-(2,3-dimethylphenyl)piperidine-1-carboxamide

C22H26ClN3O2 — CID 24790774

IUPAC3-[[(2-chlorobenzoyl)amino]methyl]-N-(2,3-dimethylphenyl)piperidine-1-carboxamide
SMILESCc1cccc(NC(=O)N2CCCC(CNC(=O)c3ccccc3Cl)C2)c1C
InChIInChI=1S/C22H26ClN3O2/c1-15-7-5-11-20(16(15)2)25-22(28)26-12-6-8-17(14-26)13-24-21(27)18-9-3-4-10-19(18)23/h3-5,7,9-11,17H,6,8,12-14H2,1-2H3,(H,24,27)(H,25,28)
InChIKeyPXPIJCUAPDUTRG-UHFFFAOYSA-N
MW399.92 g/mol
LogP4.63
Rot. Bonds4

About 3-[[(2-chlorobenzoyl)amino]methyl]-N-(2,3-dimethylphenyl)piperidine-1-carboxamide

3-[[(2-chlorobenzoyl)amino]methyl]-N-(2,3-dimethylphenyl)piperidine-1-carboxamide (PubChem CID 24790774) has the molecular formula C22H26ClN3O2 and a molecular weight of 399.92 g/mol. Its IUPAC name is 3-[[(2-chlorobenzoyl)amino]methyl]-N-(2,3-dimethylphenyl)piperidine-1-carboxamide.

Molecular Properties

Compound Name3-[[(2-chlorobenzoyl)amino]methyl]-N-(2,3-dimethylphenyl)piperidine-1-carboxamide
PubChem CID24790774
Molecular FormulaC22H26ClN3O2
Molecular Weight399.92 g/mol
Exact Mass399.17
IUPAC Name3-[[(2-chlorobenzoyl)amino]methyl]-N-(2,3-dimethylphenyl)piperidine-1-carboxamide
SMILESCc1cccc(NC(=O)N2CCCC(CNC(=O)c3ccccc3Cl)C2)c1C
InChIInChI=1S/C22H26ClN3O2/c1-15-7-5-11-20(16(15)2)25-22(28)26-12-6-8-17(14-26)13-24-21(27)18-9-3-4-10-19(18)23/h3-5,7,9-11,17H,6,8,12-14H2,1-2H3,(H,24,27)(H,25,28)
InChIKeyPXPIJCUAPDUTRG-UHFFFAOYSA-N
XLogP4.63
TPSA61.44 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500399.92
LogP ≤ 54.63
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Related Compounds

(3S)-3-[[(2-chlorobenzoyl)amino]methyl]-N-(2-methoxyphenyl)piperidine-1-carboxamide
CID 42558040
(3S)-3-[[(2-chlorobenzoyl)amino]methyl]-N-propan-2-ylpiperidine-1-carboxamide
CID 26323757
N-[[1-[(3-chloro-2-methylphenyl)carbamoyl]piperidin-3-yl]methyl]pyridine-3-carboxamide
CID 45231575
N-(2-chlorophenyl)-3-[(propanoylamino)methyl]piperidine-1-carboxamide
CID 71840487
2-chloro-N-[[(3S)-1-(2-methylsulfanylbenzoyl)piperidin-3-yl]methyl]benzamide
CID 42594765
2-chloro-N-[[(3R)-1-(cyclopentene-1-carbonyl)piperidin-3-yl]methyl]benzamide
CID 26405742
2-chloro-N-[[(3S)-1-[3-(oxazinan-2-yl)propanoyl]piperidin-3-yl]methyl]benzamide
CID 26398170
N-[[(3S)-1-(pyrrolidine-1-carbonyl)piperidin-3-yl]methyl]naphthalene-1-carboxamide
CID 97272246
ethyl (3S)-1-[(2,3-dimethylphenyl)carbamoyl]piperidine-3-carboxylate
CID 94172269
2-chloro-N-[[(3S)-1-(5-phenylpentanoyl)piperidin-3-yl]methyl]benzamide
CID 26402341
2-chloro-N-[[1-(5-phenylpentanoyl)piperidin-3-yl]methyl]benzamide
CID 45249030
1-[(3-chloro-2-methylphenyl)carbamoyl]piperidine-3-carboxylic acid
CID 43318390

Frequently Asked Questions

What is the IUPAC name of 3-[[(2-chlorobenzoyl)amino]methyl]-N-(2,3-dimethylphenyl)piperidine-1-carboxamide?
The IUPAC name of 3-[[(2-chlorobenzoyl)amino]methyl]-N-(2,3-dimethylphenyl)piperidine-1-carboxamide (CID 24790774) is 3-[[(2-chlorobenzoyl)amino]methyl]-N-(2,3-dimethylphenyl)piperidine-1-carboxamide.
What is the SMILES notation for 3-[[(2-chlorobenzoyl)amino]methyl]-N-(2,3-dimethylphenyl)piperidine-1-carboxamide?
The canonical SMILES for 3-[[(2-chlorobenzoyl)amino]methyl]-N-(2,3-dimethylphenyl)piperidine-1-carboxamide is Cc1cccc(NC(=O)N2CCCC(CNC(=O)c3ccccc3Cl)C2)c1C.
What is the InChIKey of 3-[[(2-chlorobenzoyl)amino]methyl]-N-(2,3-dimethylphenyl)piperidine-1-carboxamide?
The InChIKey is PXPIJCUAPDUTRG-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H26ClN3O2/c1-15-7-5-11-20(16(15)2)25-22(28)26-12-6-8-17(14-26)13-24-21(27)18-9-3-4-10-19(18)23/h3-5,7,9-11,17H,6,8,12-14H2,1-2H3,(H,24,27)(H,25,28).
What are the key properties of 3-[[(2-chlorobenzoyl)amino]methyl]-N-(2,3-dimethylphenyl)piperidine-1-carboxamide?
3-[[(2-chlorobenzoyl)amino]methyl]-N-(2,3-dimethylphenyl)piperidine-1-carboxamide has a molecular weight of 399.92 g/mol, XLogP of 4.63, 4 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[[(2-chlorobenzoyl)amino]methyl]-N-(2,3-dimethylphenyl)piperidine-1-carboxamide is sourced from PubChem (CID 24790774), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).