1-[4-[(2-chlorophenyl)methylcarbamoyl]phenyl]piperidine-3-carboxamide

C20H22ClN3O2 — CID 47069872

IUPAC1-[4-[(2-chlorophenyl)methylcarbamoyl]phenyl]piperidine-3-carboxamide
SMILESNC(=O)C1CCCN(c2ccc(C(=O)NCc3ccccc3Cl)cc2)C1
InChIInChI=1S/C20H22ClN3O2/c21-18-6-2-1-4-15(18)12-23-20(26)14-7-9-17(10-8-14)24-11-3-5-16(13-24)19(22)25/h1-2,4,6-10,16H,3,5,11-13H2,(H2,22,25)(H,23,26)
InChIKeyIWUNOEWLNUEDKK-UHFFFAOYSA-N
MW371.87 g/mol
LogP2.97
Rot. Bonds5

About 1-[4-[(2-chlorophenyl)methylcarbamoyl]phenyl]piperidine-3-carboxamide

1-[4-[(2-chlorophenyl)methylcarbamoyl]phenyl]piperidine-3-carboxamide (PubChem CID 47069872) has the molecular formula C20H22ClN3O2 and a molecular weight of 371.87 g/mol. Its IUPAC name is 1-[4-[(2-chlorophenyl)methylcarbamoyl]phenyl]piperidine-3-carboxamide.

Molecular Properties

Compound Name1-[4-[(2-chlorophenyl)methylcarbamoyl]phenyl]piperidine-3-carboxamide
PubChem CID47069872
Molecular FormulaC20H22ClN3O2
Molecular Weight371.87 g/mol
Exact Mass371.14
IUPAC Name1-[4-[(2-chlorophenyl)methylcarbamoyl]phenyl]piperidine-3-carboxamide
SMILESNC(=O)C1CCCN(c2ccc(C(=O)NCc3ccccc3Cl)cc2)C1
InChIInChI=1S/C20H22ClN3O2/c21-18-6-2-1-4-15(18)12-23-20(26)14-7-9-17(10-8-14)24-11-3-5-16(13-24)19(22)25/h1-2,4,6-10,16H,3,5,11-13H2,(H2,22,25)(H,23,26)
InChIKeyIWUNOEWLNUEDKK-UHFFFAOYSA-N
XLogP2.97
TPSA75.43 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500371.87
LogP ≤ 52.97
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

1-[4-[[(4-chlorobenzoyl)amino]methyl]phenyl]piperidine-3-carboxamide
CID 47064463
1-[4-[(3,4-dimethoxyphenyl)methylcarbamoyl]phenyl]piperidine-3-carboxamide
CID 51124631
(3S)-1-[4-[[[4-(dimethylsulfamoyl)benzoyl]amino]methyl]phenyl]piperidine-3-carboxamide
CID 51966572
(3S)-1-[4-(cycloheptylcarbamoyl)phenyl]piperidine-3-carboxamide
CID 94467987
(3S)-1-[(2-chlorophenyl)methyl]piperidine-3-carboxamide
CID 6962119
N-[(2-chlorophenyl)methyl]-2-(4-pyrrolidin-1-ylphenyl)acetamide
CID 110648111
1-[4-[(furan-2-carbonylamino)methyl]phenyl]piperidine-3-carboxamide
CID 56797802
(3S)-1-[4-[[(2-fluorophenyl)methylamino]methyl]phenyl]piperidine-3-carboxamide
CID 94531394
4-(azepane-1-carbonyl)-N-[(2-chlorophenyl)methyl]benzamide
CID 109047312
1-[4-(2,3-dihydro-1-benzofuran-3-ylcarbamoyl)phenyl]piperidine-3-carboxamide
CID 71881920
1-[2-[(cyclopropylamino)methyl]phenyl]piperidine-3-carboxamide
CID 43280219
1-[4-[(1-methylpiperidin-4-yl)carbamoyl]phenyl]piperidine-3-carboxamide
CID 138998650

Frequently Asked Questions

What is the IUPAC name of 1-[4-[(2-chlorophenyl)methylcarbamoyl]phenyl]piperidine-3-carboxamide?
The IUPAC name of 1-[4-[(2-chlorophenyl)methylcarbamoyl]phenyl]piperidine-3-carboxamide (CID 47069872) is 1-[4-[(2-chlorophenyl)methylcarbamoyl]phenyl]piperidine-3-carboxamide.
What is the SMILES notation for 1-[4-[(2-chlorophenyl)methylcarbamoyl]phenyl]piperidine-3-carboxamide?
The canonical SMILES for 1-[4-[(2-chlorophenyl)methylcarbamoyl]phenyl]piperidine-3-carboxamide is NC(=O)C1CCCN(c2ccc(C(=O)NCc3ccccc3Cl)cc2)C1.
What is the InChIKey of 1-[4-[(2-chlorophenyl)methylcarbamoyl]phenyl]piperidine-3-carboxamide?
The InChIKey is IWUNOEWLNUEDKK-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H22ClN3O2/c21-18-6-2-1-4-15(18)12-23-20(26)14-7-9-17(10-8-14)24-11-3-5-16(13-24)19(22)25/h1-2,4,6-10,16H,3,5,11-13H2,(H2,22,25)(H,23,26).
What are the key properties of 1-[4-[(2-chlorophenyl)methylcarbamoyl]phenyl]piperidine-3-carboxamide?
1-[4-[(2-chlorophenyl)methylcarbamoyl]phenyl]piperidine-3-carboxamide has a molecular weight of 371.87 g/mol, XLogP of 2.97, 5 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[4-[(2-chlorophenyl)methylcarbamoyl]phenyl]piperidine-3-carboxamide is sourced from PubChem (CID 47069872), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).