(3S)-N-(2-chlorophenyl)-1-(2-naphthalen-1-ylacetyl)piperidine-3-carboxamide

C24H23ClN2O2 — CID 94082630

IUPAC(3S)-N-(2-chlorophenyl)-1-(2-naphthalen-1-ylacetyl)piperidine-3-carboxamide
SMILESO=C(Nc1ccccc1Cl)[C@H]1CCCN(C(=O)Cc2cccc3ccccc23)C1
InChIInChI=1S/C24H23ClN2O2/c25-21-12-3-4-13-22(21)26-24(29)19-10-6-14-27(16-19)23(28)15-18-9-5-8-17-7-1-2-11-20(17)18/h1-5,7-9,11-13,19H,6,10,14-16H2,(H,26,29)/t19-/m0/s1
InChIKeyWNCPBRAWWAFVLP-IBGZPJMESA-N
MW406.91 g/mol
LogP4.91
Rot. Bonds4

About (3S)-N-(2-chlorophenyl)-1-(2-naphthalen-1-ylacetyl)piperidine-3-carboxamide

(3S)-N-(2-chlorophenyl)-1-(2-naphthalen-1-ylacetyl)piperidine-3-carboxamide (PubChem CID 94082630) has the molecular formula C24H23ClN2O2 and a molecular weight of 406.91 g/mol. Its IUPAC name is (3S)-N-(2-chlorophenyl)-1-(2-naphthalen-1-ylacetyl)piperidine-3-carboxamide.

Molecular Properties

Compound Name(3S)-N-(2-chlorophenyl)-1-(2-naphthalen-1-ylacetyl)piperidine-3-carboxamide
PubChem CID94082630
Molecular FormulaC24H23ClN2O2
Molecular Weight406.91 g/mol
Exact Mass406.14
IUPAC Name(3S)-N-(2-chlorophenyl)-1-(2-naphthalen-1-ylacetyl)piperidine-3-carboxamide
SMILESO=C(Nc1ccccc1Cl)[C@H]1CCCN(C(=O)Cc2cccc3ccccc23)C1
InChIInChI=1S/C24H23ClN2O2/c25-21-12-3-4-13-22(21)26-24(29)19-10-6-14-27(16-19)23(28)15-18-9-5-8-17-7-1-2-11-20(17)18/h1-5,7-9,11-13,19H,6,10,14-16H2,(H,26,29)/t19-/m0/s1
InChIKeyWNCPBRAWWAFVLP-IBGZPJMESA-N
XLogP4.91
TPSA49.41 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500406.91
LogP ≤ 54.91
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

N-(4-chloro-2-fluorophenyl)-1-(2-naphthalen-1-ylacetyl)piperidine-3-carboxamide
CID 50804204
N-(2,4-difluorophenyl)-1-(2-naphthalen-1-ylacetyl)piperidine-3-carboxamide
CID 50804171
N-[(4-chlorophenyl)methyl]-1-(2-naphthalen-1-ylacetyl)piperidine-3-carboxamide
CID 50804112
N-[(3-chlorophenyl)methyl]-1-(2-naphthalen-1-ylacetyl)piperidine-3-carboxamide
CID 50803992
(3R)-N-(3-ethylphenyl)-1-(2-naphthalen-1-ylacetyl)piperidine-3-carboxamide
CID 94082707
(3R)-1-[(2-chlorophenyl)methyl]-N-naphthalen-1-ylpiperidine-3-carboxamide
CID 93490606
(3S)-1-(2-naphthalen-1-ylacetyl)-N-(3-phenylpropyl)piperidine-3-carboxamide
CID 94082667
(3R)-N-(2-chlorophenyl)-1-(2,2-dimethylpropanoyl)piperidine-3-carboxamide
CID 94857586
(3S)-3-N-(2-chlorophenyl)-1-N-phenylpiperidine-1,3-dicarboxamide
CID 8865149
(3R)-N-[(3-bromophenyl)methyl]-1-(2-naphthalen-1-ylacetyl)piperidine-3-carboxamide
CID 94082744
(3R)-N-[(2-methoxyphenyl)methyl]-1-(2-naphthalen-1-ylacetyl)piperidine-3-carboxamide
CID 94082698
1-(3-methylpiperidin-1-yl)-2-naphthalen-1-ylethanone
CID 2948345

Frequently Asked Questions

What is the IUPAC name of (3S)-N-(2-chlorophenyl)-1-(2-naphthalen-1-ylacetyl)piperidine-3-carboxamide?
The IUPAC name of (3S)-N-(2-chlorophenyl)-1-(2-naphthalen-1-ylacetyl)piperidine-3-carboxamide (CID 94082630) is (3S)-N-(2-chlorophenyl)-1-(2-naphthalen-1-ylacetyl)piperidine-3-carboxamide.
What is the SMILES notation for (3S)-N-(2-chlorophenyl)-1-(2-naphthalen-1-ylacetyl)piperidine-3-carboxamide?
The canonical SMILES for (3S)-N-(2-chlorophenyl)-1-(2-naphthalen-1-ylacetyl)piperidine-3-carboxamide is O=C(Nc1ccccc1Cl)[C@H]1CCCN(C(=O)Cc2cccc3ccccc23)C1.
What is the InChIKey of (3S)-N-(2-chlorophenyl)-1-(2-naphthalen-1-ylacetyl)piperidine-3-carboxamide?
The InChIKey is WNCPBRAWWAFVLP-IBGZPJMESA-N. The full InChI is InChI=1S/C24H23ClN2O2/c25-21-12-3-4-13-22(21)26-24(29)19-10-6-14-27(16-19)23(28)15-18-9-5-8-17-7-1-2-11-20(17)18/h1-5,7-9,11-13,19H,6,10,14-16H2,(H,26,29)/t19-/m0/s1.
What are the key properties of (3S)-N-(2-chlorophenyl)-1-(2-naphthalen-1-ylacetyl)piperidine-3-carboxamide?
(3S)-N-(2-chlorophenyl)-1-(2-naphthalen-1-ylacetyl)piperidine-3-carboxamide has a molecular weight of 406.91 g/mol, XLogP of 4.91, 4 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (3S)-N-(2-chlorophenyl)-1-(2-naphthalen-1-ylacetyl)piperidine-3-carboxamide is sourced from PubChem (CID 94082630), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).