1-[[2-[[2-(2-chlorophenyl)acetyl]amino]phenyl]methyl]piperidine-3-carboxamide

C21H24ClN3O2 — CID 47090669

IUPAC1-[[2-[[2-(2-chlorophenyl)acetyl]amino]phenyl]methyl]piperidine-3-carboxamide
SMILESNC(=O)C1CCCN(Cc2ccccc2NC(=O)Cc2ccccc2Cl)C1
InChIInChI=1S/C21H24ClN3O2/c22-18-9-3-1-6-15(18)12-20(26)24-19-10-4-2-7-16(19)13-25-11-5-8-17(14-25)21(23)27/h1-4,6-7,9-10,17H,5,8,11-14H2,(H2,23,27)(H,24,26)
InChIKeyWTXUGENYYZGCDB-UHFFFAOYSA-N
MW385.90 g/mol
LogP3.22
Rot. Bonds6

About 1-[[2-[[2-(2-chlorophenyl)acetyl]amino]phenyl]methyl]piperidine-3-carboxamide

1-[[2-[[2-(2-chlorophenyl)acetyl]amino]phenyl]methyl]piperidine-3-carboxamide (PubChem CID 47090669) has the molecular formula C21H24ClN3O2 and a molecular weight of 385.90 g/mol. Its IUPAC name is 1-[[2-[[2-(2-chlorophenyl)acetyl]amino]phenyl]methyl]piperidine-3-carboxamide.

Molecular Properties

Compound Name1-[[2-[[2-(2-chlorophenyl)acetyl]amino]phenyl]methyl]piperidine-3-carboxamide
PubChem CID47090669
Molecular FormulaC21H24ClN3O2
Molecular Weight385.90 g/mol
Exact Mass385.16
IUPAC Name1-[[2-[[2-(2-chlorophenyl)acetyl]amino]phenyl]methyl]piperidine-3-carboxamide
SMILESNC(=O)C1CCCN(Cc2ccccc2NC(=O)Cc2ccccc2Cl)C1
InChIInChI=1S/C21H24ClN3O2/c22-18-9-3-1-6-15(18)12-20(26)24-19-10-4-2-7-16(19)13-25-11-5-8-17(14-25)21(23)27/h1-4,6-7,9-10,17H,5,8,11-14H2,(H2,23,27)(H,24,26)
InChIKeyWTXUGENYYZGCDB-UHFFFAOYSA-N
XLogP3.22
TPSA75.43 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500385.90
LogP ≤ 53.22
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

(3S)-1-[(2-chlorophenyl)methyl]piperidine-3-carboxamide
CID 6962119
(3R)-1-[[2-(cyclopentanecarbonylamino)phenyl]methyl]piperidine-3-carboxamide
CID 95155016
1-[[2-(but-2-ynoylamino)phenyl]methyl]piperidine-3-carboxamide
CID 166403364
(3S)-1-[(2,3-dichlorophenyl)methyl]piperidine-3-carboxamide
CID 26458106
1-[(2,3-dichlorophenyl)methyl]piperidine-3-carboxamide;hydrochloride
CID 66770544
(3R)-1-[[2-[[(1S)-1-cyclobutylethyl]amino]phenyl]methyl]piperidine-3-carboxamide
CID 129434666
(3S)-1-[[2-[[(1S)-1-cyclobutylethyl]amino]phenyl]methyl]piperidine-3-carboxamide
CID 100707846
2-[(3-carbamoylpiperidin-1-yl)methyl]benzoic acid
CID 43473268
1-[(2-carbamothioylphenyl)methyl]piperidine-3-carboxamide
CID 24701330
(3R)-1-[(2-chlorophenyl)methyl]-N-naphthalen-1-ylpiperidine-3-carboxamide
CID 93490606
1-[(2-methylsulfanylphenyl)methyl]piperidine-3-carboxamide
CID 66899395
(3S)-1-[2-(2-fluoroanilino)-2-oxoethyl]piperidine-3-carboxamide
CID 9305796

Frequently Asked Questions

What is the IUPAC name of 1-[[2-[[2-(2-chlorophenyl)acetyl]amino]phenyl]methyl]piperidine-3-carboxamide?
The IUPAC name of 1-[[2-[[2-(2-chlorophenyl)acetyl]amino]phenyl]methyl]piperidine-3-carboxamide (CID 47090669) is 1-[[2-[[2-(2-chlorophenyl)acetyl]amino]phenyl]methyl]piperidine-3-carboxamide.
What is the SMILES notation for 1-[[2-[[2-(2-chlorophenyl)acetyl]amino]phenyl]methyl]piperidine-3-carboxamide?
The canonical SMILES for 1-[[2-[[2-(2-chlorophenyl)acetyl]amino]phenyl]methyl]piperidine-3-carboxamide is NC(=O)C1CCCN(Cc2ccccc2NC(=O)Cc2ccccc2Cl)C1.
What is the InChIKey of 1-[[2-[[2-(2-chlorophenyl)acetyl]amino]phenyl]methyl]piperidine-3-carboxamide?
The InChIKey is WTXUGENYYZGCDB-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H24ClN3O2/c22-18-9-3-1-6-15(18)12-20(26)24-19-10-4-2-7-16(19)13-25-11-5-8-17(14-25)21(23)27/h1-4,6-7,9-10,17H,5,8,11-14H2,(H2,23,27)(H,24,26).
What are the key properties of 1-[[2-[[2-(2-chlorophenyl)acetyl]amino]phenyl]methyl]piperidine-3-carboxamide?
1-[[2-[[2-(2-chlorophenyl)acetyl]amino]phenyl]methyl]piperidine-3-carboxamide has a molecular weight of 385.90 g/mol, XLogP of 3.22, 6 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[[2-[[2-(2-chlorophenyl)acetyl]amino]phenyl]methyl]piperidine-3-carboxamide is sourced from PubChem (CID 47090669), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).