N-[[2-(3-chlorophenyl)phenyl]methyl]piperidine-4-carboxamide

C19H21ClN2O — CID 46890960

IUPACN-[[2-(3-chlorophenyl)phenyl]methyl]piperidine-4-carboxamide
SMILESO=C(NCc1ccccc1-c1cccc(Cl)c1)C1CCNCC1
InChIInChI=1S/C19H21ClN2O/c20-17-6-3-5-15(12-17)18-7-2-1-4-16(18)13-22-19(23)14-8-10-21-11-9-14/h1-7,12,14,21H,8-11,13H2,(H,22,23)
InChIKeyKOWTVWBNPHVWND-UHFFFAOYSA-N
MW328.84 g/mol
LogP3.62
Rot. Bonds4

About N-[[2-(3-chlorophenyl)phenyl]methyl]piperidine-4-carboxamide

N-[[2-(3-chlorophenyl)phenyl]methyl]piperidine-4-carboxamide (PubChem CID 46890960) has the molecular formula C19H21ClN2O and a molecular weight of 328.84 g/mol. Its IUPAC name is N-[[2-(3-chlorophenyl)phenyl]methyl]piperidine-4-carboxamide.

Molecular Properties

Compound NameN-[[2-(3-chlorophenyl)phenyl]methyl]piperidine-4-carboxamide
PubChem CID46890960
Molecular FormulaC19H21ClN2O
Molecular Weight328.84 g/mol
Exact Mass328.13
IUPAC NameN-[[2-(3-chlorophenyl)phenyl]methyl]piperidine-4-carboxamide
SMILESO=C(NCc1ccccc1-c1cccc(Cl)c1)C1CCNCC1
InChIInChI=1S/C19H21ClN2O/c20-17-6-3-5-15(12-17)18-7-2-1-4-16(18)13-22-19(23)14-8-10-21-11-9-14/h1-7,12,14,21H,8-11,13H2,(H,22,23)
InChIKeyKOWTVWBNPHVWND-UHFFFAOYSA-N
XLogP3.62
TPSA41.13 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500328.84
LogP ≤ 53.62
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Related Compounds

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CID 9804703
2-(3-Chloro-phenyl)-N-[1-(4-fluoro-benzyl)-piperidin-4-yl]-acetamide
CID 9841846
N-(1-benzylpiperidin-4-yl)-2-(2-chlorophenyl)acetamide
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1-(4-((4-Chlorophenyl)(phenyl)methyl)piperazin-1-yl)-4-(cyclohexylmethylamino)butan-1-one
CID 25195536
1-(4-((4-Chlorophenyl)(phenyl)methyl)piperazin-1-yl)-4-(ethylamino)butan-1-one
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Frequently Asked Questions

What is the IUPAC name of N-[[2-(3-chlorophenyl)phenyl]methyl]piperidine-4-carboxamide?
The IUPAC name of N-[[2-(3-chlorophenyl)phenyl]methyl]piperidine-4-carboxamide (CID 46890960) is N-[[2-(3-chlorophenyl)phenyl]methyl]piperidine-4-carboxamide.
What is the SMILES notation for N-[[2-(3-chlorophenyl)phenyl]methyl]piperidine-4-carboxamide?
The canonical SMILES for N-[[2-(3-chlorophenyl)phenyl]methyl]piperidine-4-carboxamide is O=C(NCc1ccccc1-c1cccc(Cl)c1)C1CCNCC1.
What is the InChIKey of N-[[2-(3-chlorophenyl)phenyl]methyl]piperidine-4-carboxamide?
The InChIKey is KOWTVWBNPHVWND-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H21ClN2O/c20-17-6-3-5-15(12-17)18-7-2-1-4-16(18)13-22-19(23)14-8-10-21-11-9-14/h1-7,12,14,21H,8-11,13H2,(H,22,23).
What are the key properties of N-[[2-(3-chlorophenyl)phenyl]methyl]piperidine-4-carboxamide?
N-[[2-(3-chlorophenyl)phenyl]methyl]piperidine-4-carboxamide has a molecular weight of 328.84 g/mol, XLogP of 3.62, 4 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-[[2-(3-chlorophenyl)phenyl]methyl]piperidine-4-carboxamide is sourced from PubChem (CID 46890960), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).