(3R)-1-[(2-chlorophenyl)methyl]-N-naphthalen-1-ylpiperidine-3-carboxamide

C23H23ClN2O — CID 93490606

IUPAC(3R)-1-[(2-chlorophenyl)methyl]-N-naphthalen-1-ylpiperidine-3-carboxamide
SMILESO=C(Nc1cccc2ccccc12)[C@@H]1CCCN(Cc2ccccc2Cl)C1
InChIInChI=1S/C23H23ClN2O/c24-21-12-4-2-8-18(21)15-26-14-6-10-19(16-26)23(27)25-22-13-5-9-17-7-1-3-11-20(17)22/h1-5,7-9,11-13,19H,6,10,14-16H2,(H,25,27)/t19-/m1/s1
InChIKeyPKZOZDHWPBOHCM-LJQANCHMSA-N
MW378.90 g/mol
LogP5.34
Rot. Bonds4

About (3R)-1-[(2-chlorophenyl)methyl]-N-naphthalen-1-ylpiperidine-3-carboxamide

(3R)-1-[(2-chlorophenyl)methyl]-N-naphthalen-1-ylpiperidine-3-carboxamide (PubChem CID 93490606) has the molecular formula C23H23ClN2O and a molecular weight of 378.90 g/mol. Its IUPAC name is (3R)-1-[(2-chlorophenyl)methyl]-N-naphthalen-1-ylpiperidine-3-carboxamide.

Molecular Properties

Compound Name(3R)-1-[(2-chlorophenyl)methyl]-N-naphthalen-1-ylpiperidine-3-carboxamide
PubChem CID93490606
Molecular FormulaC23H23ClN2O
Molecular Weight378.90 g/mol
Exact Mass378.15
IUPAC Name(3R)-1-[(2-chlorophenyl)methyl]-N-naphthalen-1-ylpiperidine-3-carboxamide
SMILESO=C(Nc1cccc2ccccc12)[C@@H]1CCCN(Cc2ccccc2Cl)C1
InChIInChI=1S/C23H23ClN2O/c24-21-12-4-2-8-18(21)15-26-14-6-10-19(16-26)23(27)25-22-13-5-9-17-7-1-3-11-20(17)22/h1-5,7-9,11-13,19H,6,10,14-16H2,(H,25,27)/t19-/m1/s1
InChIKeyPKZOZDHWPBOHCM-LJQANCHMSA-N
XLogP5.34
TPSA32.34 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms27
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500378.90
LogP ≤ 55.34
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

1-[(2-fluorophenyl)methyl]-N-naphthalen-1-ylpiperidine-3-carboxamide
CID 43919580
1-[(2-chlorophenyl)methyl]-N-(2,3-dimethylphenyl)piperidine-3-carboxamide
CID 43920320
(3S)-1-[(2-chlorophenyl)methyl]-N-[2-(pyrrolidine-1-carbonyl)phenyl]piperidine-3-carboxamide
CID 93491921
(3R)-1-[(2-chlorophenyl)methyl]-N-[2-(pyrrolidine-1-carbonyl)phenyl]piperidine-3-carboxamide
CID 93491922
(3R)-1-[(2-chlorophenyl)methyl]-N-(2,5-dichlorophenyl)piperidine-3-carboxamide
CID 93490992
(3R)-1-[(2-chlorophenyl)methylsulfonyl]-N-naphthalen-1-ylpiperidine-3-carboxamide
CID 92641554
(3R)-N-(2-chlorophenyl)-1-[(2,6-dichlorophenyl)methyl]piperidine-3-carboxamide
CID 93490507
N-(5-chloro-2-methylphenyl)-1-[(2-chlorophenyl)methyl]piperidine-3-carboxamide
CID 43921598
N-(3-chloro-4-methylphenyl)-1-(naphthalen-1-ylmethyl)piperidine-3-carboxamide
CID 43921707
N-(2-ethoxyphenyl)-1-(naphthalen-1-ylmethyl)piperidine-3-carboxamide
CID 43919757
ethyl 2-[[(3R)-1-[(2-chlorophenyl)methyl]piperidine-3-carbonyl]amino]benzoate
CID 93490772
1-benzyl-N-(2-chlorophenyl)piperidine-3-carboxamide
CID 43919369

Frequently Asked Questions

What is the IUPAC name of (3R)-1-[(2-chlorophenyl)methyl]-N-naphthalen-1-ylpiperidine-3-carboxamide?
The IUPAC name of (3R)-1-[(2-chlorophenyl)methyl]-N-naphthalen-1-ylpiperidine-3-carboxamide (CID 93490606) is (3R)-1-[(2-chlorophenyl)methyl]-N-naphthalen-1-ylpiperidine-3-carboxamide.
What is the SMILES notation for (3R)-1-[(2-chlorophenyl)methyl]-N-naphthalen-1-ylpiperidine-3-carboxamide?
The canonical SMILES for (3R)-1-[(2-chlorophenyl)methyl]-N-naphthalen-1-ylpiperidine-3-carboxamide is O=C(Nc1cccc2ccccc12)[C@@H]1CCCN(Cc2ccccc2Cl)C1.
What is the InChIKey of (3R)-1-[(2-chlorophenyl)methyl]-N-naphthalen-1-ylpiperidine-3-carboxamide?
The InChIKey is PKZOZDHWPBOHCM-LJQANCHMSA-N. The full InChI is InChI=1S/C23H23ClN2O/c24-21-12-4-2-8-18(21)15-26-14-6-10-19(16-26)23(27)25-22-13-5-9-17-7-1-3-11-20(17)22/h1-5,7-9,11-13,19H,6,10,14-16H2,(H,25,27)/t19-/m1/s1.
What are the key properties of (3R)-1-[(2-chlorophenyl)methyl]-N-naphthalen-1-ylpiperidine-3-carboxamide?
(3R)-1-[(2-chlorophenyl)methyl]-N-naphthalen-1-ylpiperidine-3-carboxamide has a molecular weight of 378.90 g/mol, XLogP of 5.34, 4 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (3R)-1-[(2-chlorophenyl)methyl]-N-naphthalen-1-ylpiperidine-3-carboxamide is sourced from PubChem (CID 93490606), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).