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

C25H25ClN2O2 — CID 50803992

IUPACN-[(3-chlorophenyl)methyl]-1-(2-naphthalen-1-ylacetyl)piperidine-3-carboxamide
SMILESO=C(NCc1cccc(Cl)c1)C1CCCN(C(=O)Cc2cccc3ccccc23)C1
InChIInChI=1S/C25H25ClN2O2/c26-22-11-3-6-18(14-22)16-27-25(30)21-10-5-13-28(17-21)24(29)15-20-9-4-8-19-7-1-2-12-23(19)20/h1-4,6-9,11-12,14,21H,5,10,13,15-17H2,(H,27,30)
InChIKeyHSHDKAMZHLGLJX-UHFFFAOYSA-N
MW420.94 g/mol
LogP4.59
Rot. Bonds5

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

N-[(3-chlorophenyl)methyl]-1-(2-naphthalen-1-ylacetyl)piperidine-3-carboxamide (PubChem CID 50803992) has the molecular formula C25H25ClN2O2 and a molecular weight of 420.94 g/mol. Its IUPAC name is N-[(3-chlorophenyl)methyl]-1-(2-naphthalen-1-ylacetyl)piperidine-3-carboxamide.

Molecular Properties

Compound NameN-[(3-chlorophenyl)methyl]-1-(2-naphthalen-1-ylacetyl)piperidine-3-carboxamide
PubChem CID50803992
Molecular FormulaC25H25ClN2O2
Molecular Weight420.94 g/mol
Exact Mass420.16
IUPAC NameN-[(3-chlorophenyl)methyl]-1-(2-naphthalen-1-ylacetyl)piperidine-3-carboxamide
SMILESO=C(NCc1cccc(Cl)c1)C1CCCN(C(=O)Cc2cccc3ccccc23)C1
InChIInChI=1S/C25H25ClN2O2/c26-22-11-3-6-18(14-22)16-27-25(30)21-10-5-13-28(17-21)24(29)15-20-9-4-8-19-7-1-2-12-23(19)20/h1-4,6-9,11-12,14,21H,5,10,13,15-17H2,(H,27,30)
InChIKeyHSHDKAMZHLGLJX-UHFFFAOYSA-N
XLogP4.59
TPSA49.41 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms30
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500420.94
LogP ≤ 54.59
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

N-[(4-chlorophenyl)methyl]-1-(2-naphthalen-1-ylacetyl)piperidine-3-carboxamide
CID 50804112
(3R)-N-[(3-bromophenyl)methyl]-1-(2-naphthalen-1-ylacetyl)piperidine-3-carboxamide
CID 94082744
(3S)-1-(2-naphthalen-1-ylacetyl)-N-(3-phenylpropyl)piperidine-3-carboxamide
CID 94082667
N-(4-chloro-2-fluorophenyl)-1-(2-naphthalen-1-ylacetyl)piperidine-3-carboxamide
CID 50804204
(3R)-N-[(2-methoxyphenyl)methyl]-1-(2-naphthalen-1-ylacetyl)piperidine-3-carboxamide
CID 94082698
(3S)-N-(2-chlorophenyl)-1-(2-naphthalen-1-ylacetyl)piperidine-3-carboxamide
CID 94082630
(3R)-1-(2-naphthalen-1-ylacetyl)-N-[(4-propan-2-yloxyphenyl)methyl]piperidine-3-carboxamide
CID 94082747
(3R)-N-(3-ethylphenyl)-1-(2-naphthalen-1-ylacetyl)piperidine-3-carboxamide
CID 94082707
N-[[3-(azepan-1-ylmethyl)phenyl]methyl]-1-[(3-chlorophenyl)methyl]piperidine-3-carboxamide
CID 43917396
N-[(3-chlorophenyl)methyl]-1-(2,3-dihydro-1,4-benzoxazine-4-carbonyl)piperidine-3-carboxamide
CID 22521292
N-[2-(2-methoxyphenyl)ethyl]-1-(2-naphthalen-1-ylacetyl)piperidine-3-carboxamide
CID 50803996
N-[(3-chlorophenyl)methyl]-1-(naphthalene-1-carbonyl)piperidine-4-carboxamide
CID 27535031

Frequently Asked Questions

What is the IUPAC name of N-[(3-chlorophenyl)methyl]-1-(2-naphthalen-1-ylacetyl)piperidine-3-carboxamide?
The IUPAC name of N-[(3-chlorophenyl)methyl]-1-(2-naphthalen-1-ylacetyl)piperidine-3-carboxamide (CID 50803992) is N-[(3-chlorophenyl)methyl]-1-(2-naphthalen-1-ylacetyl)piperidine-3-carboxamide.
What is the SMILES notation for N-[(3-chlorophenyl)methyl]-1-(2-naphthalen-1-ylacetyl)piperidine-3-carboxamide?
The canonical SMILES for N-[(3-chlorophenyl)methyl]-1-(2-naphthalen-1-ylacetyl)piperidine-3-carboxamide is O=C(NCc1cccc(Cl)c1)C1CCCN(C(=O)Cc2cccc3ccccc23)C1.
What is the InChIKey of N-[(3-chlorophenyl)methyl]-1-(2-naphthalen-1-ylacetyl)piperidine-3-carboxamide?
The InChIKey is HSHDKAMZHLGLJX-UHFFFAOYSA-N. The full InChI is InChI=1S/C25H25ClN2O2/c26-22-11-3-6-18(14-22)16-27-25(30)21-10-5-13-28(17-21)24(29)15-20-9-4-8-19-7-1-2-12-23(19)20/h1-4,6-9,11-12,14,21H,5,10,13,15-17H2,(H,27,30).
What are the key properties of N-[(3-chlorophenyl)methyl]-1-(2-naphthalen-1-ylacetyl)piperidine-3-carboxamide?
N-[(3-chlorophenyl)methyl]-1-(2-naphthalen-1-ylacetyl)piperidine-3-carboxamide has a molecular weight of 420.94 g/mol, XLogP of 4.59, 5 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(3-chlorophenyl)methyl]-1-(2-naphthalen-1-ylacetyl)piperidine-3-carboxamide is sourced from PubChem (CID 50803992), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).