N-[(4-chlorophenyl)methyl]-1-(2-naphthalen-1-ylacetyl)piperidine-3-carboxamide

C25H25ClN2O2 — CID 50804112

IUPACN-[(4-chlorophenyl)methyl]-1-(2-naphthalen-1-ylacetyl)piperidine-3-carboxamide
SMILESO=C(NCc1ccc(Cl)cc1)C1CCCN(C(=O)Cc2cccc3ccccc23)C1
InChIInChI=1S/C25H25ClN2O2/c26-22-12-10-18(11-13-22)16-27-25(30)21-8-4-14-28(17-21)24(29)15-20-7-3-6-19-5-1-2-9-23(19)20/h1-3,5-7,9-13,21H,4,8,14-17H2,(H,27,30)
InChIKeyPGFJVCJPAMSNMF-UHFFFAOYSA-N
MW420.94 g/mol
LogP4.59
Rot. Bonds5

About N-[(4-chlorophenyl)methyl]-1-(2-naphthalen-1-ylacetyl)piperidine-3-carboxamide

N-[(4-chlorophenyl)methyl]-1-(2-naphthalen-1-ylacetyl)piperidine-3-carboxamide (PubChem CID 50804112) has the molecular formula C25H25ClN2O2 and a molecular weight of 420.94 g/mol. Its IUPAC name is N-[(4-chlorophenyl)methyl]-1-(2-naphthalen-1-ylacetyl)piperidine-3-carboxamide.

Molecular Properties

Compound NameN-[(4-chlorophenyl)methyl]-1-(2-naphthalen-1-ylacetyl)piperidine-3-carboxamide
PubChem CID50804112
Molecular FormulaC25H25ClN2O2
Molecular Weight420.94 g/mol
Exact Mass420.16
IUPAC NameN-[(4-chlorophenyl)methyl]-1-(2-naphthalen-1-ylacetyl)piperidine-3-carboxamide
SMILESO=C(NCc1ccc(Cl)cc1)C1CCCN(C(=O)Cc2cccc3ccccc23)C1
InChIInChI=1S/C25H25ClN2O2/c26-22-12-10-18(11-13-22)16-27-25(30)21-8-4-14-28(17-21)24(29)15-20-7-3-6-19-5-1-2-9-23(19)20/h1-3,5-7,9-13,21H,4,8,14-17H2,(H,27,30)
InChIKeyPGFJVCJPAMSNMF-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-[(3-chlorophenyl)methyl]-1-(2-naphthalen-1-ylacetyl)piperidine-3-carboxamide
CID 50803992
(3R)-1-(2-naphthalen-1-ylacetyl)-N-[(4-propan-2-yloxyphenyl)methyl]piperidine-3-carboxamide
CID 94082747
(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
(3S)-N-(2-chlorophenyl)-1-(2-naphthalen-1-ylacetyl)piperidine-3-carboxamide
CID 94082630
(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)-1-(4-chlorobenzoyl)-N-[(4-chlorophenyl)methyl]piperidine-3-carboxamide
CID 8713114
(3R)-N-[2-(cyclohexen-1-yl)ethyl]-1-(2-naphthalen-1-ylacetyl)piperidine-3-carboxamide
CID 94082712
N-[2-(2-methoxyphenyl)ethyl]-1-(2-naphthalen-1-ylacetyl)piperidine-3-carboxamide
CID 50803996
(3R)-N-(3-ethylphenyl)-1-(2-naphthalen-1-ylacetyl)piperidine-3-carboxamide
CID 94082707
N-(2,4-difluorophenyl)-1-(2-naphthalen-1-ylacetyl)piperidine-3-carboxamide
CID 50804171

Frequently Asked Questions

What is the IUPAC name of N-[(4-chlorophenyl)methyl]-1-(2-naphthalen-1-ylacetyl)piperidine-3-carboxamide?
The IUPAC name of N-[(4-chlorophenyl)methyl]-1-(2-naphthalen-1-ylacetyl)piperidine-3-carboxamide (CID 50804112) is N-[(4-chlorophenyl)methyl]-1-(2-naphthalen-1-ylacetyl)piperidine-3-carboxamide.
What is the SMILES notation for N-[(4-chlorophenyl)methyl]-1-(2-naphthalen-1-ylacetyl)piperidine-3-carboxamide?
The canonical SMILES for N-[(4-chlorophenyl)methyl]-1-(2-naphthalen-1-ylacetyl)piperidine-3-carboxamide is O=C(NCc1ccc(Cl)cc1)C1CCCN(C(=O)Cc2cccc3ccccc23)C1.
What is the InChIKey of N-[(4-chlorophenyl)methyl]-1-(2-naphthalen-1-ylacetyl)piperidine-3-carboxamide?
The InChIKey is PGFJVCJPAMSNMF-UHFFFAOYSA-N. The full InChI is InChI=1S/C25H25ClN2O2/c26-22-12-10-18(11-13-22)16-27-25(30)21-8-4-14-28(17-21)24(29)15-20-7-3-6-19-5-1-2-9-23(19)20/h1-3,5-7,9-13,21H,4,8,14-17H2,(H,27,30).
What are the key properties of N-[(4-chlorophenyl)methyl]-1-(2-naphthalen-1-ylacetyl)piperidine-3-carboxamide?
N-[(4-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-[(4-chlorophenyl)methyl]-1-(2-naphthalen-1-ylacetyl)piperidine-3-carboxamide is sourced from PubChem (CID 50804112), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).