(3R)-N-[(2-methoxyphenyl)methyl]-1-(2-naphthalen-1-ylacetyl)piperidine-3-carboxamide

C26H28N2O3 — CID 94082698

IUPAC(3R)-N-[(2-methoxyphenyl)methyl]-1-(2-naphthalen-1-ylacetyl)piperidine-3-carboxamide
SMILESCOc1ccccc1CNC(=O)[C@@H]1CCCN(C(=O)Cc2cccc3ccccc23)C1
InChIInChI=1S/C26H28N2O3/c1-31-24-14-5-3-9-21(24)17-27-26(30)22-12-7-15-28(18-22)25(29)16-20-11-6-10-19-8-2-4-13-23(19)20/h2-6,8-11,13-14,22H,7,12,15-18H2,1H3,(H,27,30)/t22-/m1/s1
InChIKeyBSHMJHNROWWFQM-JOCHJYFZSA-N
MW416.52 g/mol
LogP3.95
Rot. Bonds6

About (3R)-N-[(2-methoxyphenyl)methyl]-1-(2-naphthalen-1-ylacetyl)piperidine-3-carboxamide

(3R)-N-[(2-methoxyphenyl)methyl]-1-(2-naphthalen-1-ylacetyl)piperidine-3-carboxamide (PubChem CID 94082698) has the molecular formula C26H28N2O3 and a molecular weight of 416.52 g/mol. Its IUPAC name is (3R)-N-[(2-methoxyphenyl)methyl]-1-(2-naphthalen-1-ylacetyl)piperidine-3-carboxamide.

Molecular Properties

Compound Name(3R)-N-[(2-methoxyphenyl)methyl]-1-(2-naphthalen-1-ylacetyl)piperidine-3-carboxamide
PubChem CID94082698
Molecular FormulaC26H28N2O3
Molecular Weight416.52 g/mol
Exact Mass416.21
IUPAC Name(3R)-N-[(2-methoxyphenyl)methyl]-1-(2-naphthalen-1-ylacetyl)piperidine-3-carboxamide
SMILESCOc1ccccc1CNC(=O)[C@@H]1CCCN(C(=O)Cc2cccc3ccccc23)C1
InChIInChI=1S/C26H28N2O3/c1-31-24-14-5-3-9-21(24)17-27-26(30)22-12-7-15-28(18-22)25(29)16-20-11-6-10-19-8-2-4-13-23(19)20/h2-6,8-11,13-14,22H,7,12,15-18H2,1H3,(H,27,30)/t22-/m1/s1
InChIKeyBSHMJHNROWWFQM-JOCHJYFZSA-N
XLogP3.95
TPSA58.64 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms31
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500416.52
LogP ≤ 53.95
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

N-[2-(2-methoxyphenyl)ethyl]-1-(2-naphthalen-1-ylacetyl)piperidine-3-carboxamide
CID 50803996
N-[(2-methoxyphenyl)methyl]-1-(naphthalen-1-ylmethyl)piperidine-3-carboxamide
CID 43921128
N-[(4-chlorophenyl)methyl]-1-(2-naphthalen-1-ylacetyl)piperidine-3-carboxamide
CID 50804112
(3R)-1-(2-naphthalen-1-ylacetyl)-N-[(4-propan-2-yloxyphenyl)methyl]piperidine-3-carboxamide
CID 94082747
(3S)-3-N-[(2-methoxyphenyl)methyl]-1-N-phenylpiperidine-1,3-dicarboxamide
CID 9083501
(3R)-N-[(3-bromophenyl)methyl]-1-(2-naphthalen-1-ylacetyl)piperidine-3-carboxamide
CID 94082744
N-[(3-chlorophenyl)methyl]-1-(2-naphthalen-1-ylacetyl)piperidine-3-carboxamide
CID 50803992
(3R)-1-(2-chlorobenzoyl)-N-[(2-methoxyphenyl)methyl]piperidine-3-carboxamide
CID 94082337
(3S)-1-(2-naphthalen-1-ylacetyl)-N-(3-phenylpropyl)piperidine-3-carboxamide
CID 94082667
1-[2-(2-methoxyphenyl)acetyl]-N-pentan-2-ylpiperidine-3-carboxamide
CID 49405666
(3S)-N-(2-chlorophenyl)-1-(2-naphthalen-1-ylacetyl)piperidine-3-carboxamide
CID 94082630
(3S)-N-[(2,3-dimethoxyphenyl)methyl]-1-(2-fluorobenzoyl)piperidine-3-carboxamide
CID 94082480

Frequently Asked Questions

What is the IUPAC name of (3R)-N-[(2-methoxyphenyl)methyl]-1-(2-naphthalen-1-ylacetyl)piperidine-3-carboxamide?
The IUPAC name of (3R)-N-[(2-methoxyphenyl)methyl]-1-(2-naphthalen-1-ylacetyl)piperidine-3-carboxamide (CID 94082698) is (3R)-N-[(2-methoxyphenyl)methyl]-1-(2-naphthalen-1-ylacetyl)piperidine-3-carboxamide.
What is the SMILES notation for (3R)-N-[(2-methoxyphenyl)methyl]-1-(2-naphthalen-1-ylacetyl)piperidine-3-carboxamide?
The canonical SMILES for (3R)-N-[(2-methoxyphenyl)methyl]-1-(2-naphthalen-1-ylacetyl)piperidine-3-carboxamide is COc1ccccc1CNC(=O)[C@@H]1CCCN(C(=O)Cc2cccc3ccccc23)C1.
What is the InChIKey of (3R)-N-[(2-methoxyphenyl)methyl]-1-(2-naphthalen-1-ylacetyl)piperidine-3-carboxamide?
The InChIKey is BSHMJHNROWWFQM-JOCHJYFZSA-N. The full InChI is InChI=1S/C26H28N2O3/c1-31-24-14-5-3-9-21(24)17-27-26(30)22-12-7-15-28(18-22)25(29)16-20-11-6-10-19-8-2-4-13-23(19)20/h2-6,8-11,13-14,22H,7,12,15-18H2,1H3,(H,27,30)/t22-/m1/s1.
What are the key properties of (3R)-N-[(2-methoxyphenyl)methyl]-1-(2-naphthalen-1-ylacetyl)piperidine-3-carboxamide?
(3R)-N-[(2-methoxyphenyl)methyl]-1-(2-naphthalen-1-ylacetyl)piperidine-3-carboxamide has a molecular weight of 416.52 g/mol, XLogP of 3.95, 6 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (3R)-N-[(2-methoxyphenyl)methyl]-1-(2-naphthalen-1-ylacetyl)piperidine-3-carboxamide is sourced from PubChem (CID 94082698), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).