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

C25H28N2O2 — CID 43921128

IUPACN-[(2-methoxyphenyl)methyl]-1-(naphthalen-1-ylmethyl)piperidine-3-carboxamide
SMILESCOc1ccccc1CNC(=O)C1CCCN(Cc2cccc3ccccc23)C1
InChIInChI=1S/C25H28N2O2/c1-29-24-14-5-3-9-20(24)16-26-25(28)22-12-7-15-27(18-22)17-21-11-6-10-19-8-2-4-13-23(19)21/h2-6,8-11,13-14,22H,7,12,15-18H2,1H3,(H,26,28)
InChIKeyOCELGUZTHKGSPV-UHFFFAOYSA-N
MW388.51 g/mol
LogP4.38
Rot. Bonds6

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

N-[(2-methoxyphenyl)methyl]-1-(naphthalen-1-ylmethyl)piperidine-3-carboxamide (PubChem CID 43921128) has the molecular formula C25H28N2O2 and a molecular weight of 388.51 g/mol. Its IUPAC name is N-[(2-methoxyphenyl)methyl]-1-(naphthalen-1-ylmethyl)piperidine-3-carboxamide.

Molecular Properties

Compound NameN-[(2-methoxyphenyl)methyl]-1-(naphthalen-1-ylmethyl)piperidine-3-carboxamide
PubChem CID43921128
Molecular FormulaC25H28N2O2
Molecular Weight388.51 g/mol
Exact Mass388.22
IUPAC NameN-[(2-methoxyphenyl)methyl]-1-(naphthalen-1-ylmethyl)piperidine-3-carboxamide
SMILESCOc1ccccc1CNC(=O)C1CCCN(Cc2cccc3ccccc23)C1
InChIInChI=1S/C25H28N2O2/c1-29-24-14-5-3-9-20(24)16-26-25(28)22-12-7-15-27(18-22)17-21-11-6-10-19-8-2-4-13-23(19)21/h2-6,8-11,13-14,22H,7,12,15-18H2,1H3,(H,26,28)
InChIKeyOCELGUZTHKGSPV-UHFFFAOYSA-N
XLogP4.38
TPSA41.57 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500388.51
LogP ≤ 54.38
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

(3R)-N-[(2-methoxyphenyl)methyl]-1-(2-naphthalen-1-ylacetyl)piperidine-3-carboxamide
CID 94082698
(3R)-1-[(2-chlorophenyl)methyl]-N-[(3,4,5-trimethoxyphenyl)methyl]piperidine-3-carboxamide
CID 94023181
1-[1-[(2-methoxyphenyl)methyl]piperidin-3-yl]ethanone
CID 63845803
N-(2-ethoxyphenyl)-1-(naphthalen-1-ylmethyl)piperidine-3-carboxamide
CID 43919757
(3R)-1-[(2-chlorophenyl)methyl]-N-[(2-ethoxyphenyl)methyl]piperidine-3-carboxamide
CID 94023565
(3R)-N-[(2-methoxyphenyl)methyl]-1-[[5-(4-methylphenyl)-1,2,4-oxadiazol-3-yl]methyl]piperidine-3-carboxamide
CID 92733298
(3S)-1-[(2,6-dichlorophenyl)methyl]-N-[(2,6-dimethoxyphenyl)methyl]piperidine-3-carboxamide
CID 100778330
N-(4-fluorophenyl)-1-(naphthalen-1-ylmethyl)piperidine-3-carboxamide
CID 43921446
N-[2-(2-methoxyphenyl)ethyl]-1-(2-naphthalen-1-ylacetyl)piperidine-3-carboxamide
CID 50803996
(3R)-1-[(4-fluorophenyl)methyl]-N-[(2,3,4-trimethoxyphenyl)methyl]piperidine-3-carboxamide
CID 94015942
(3S)-3-N-[(2-methoxyphenyl)methyl]-1-N-phenylpiperidine-1,3-dicarboxamide
CID 9083501
1-[(2,3-dimethoxyphenyl)methyl]piperidine-3-carboxamide
CID 23884997

Frequently Asked Questions

What is the IUPAC name of N-[(2-methoxyphenyl)methyl]-1-(naphthalen-1-ylmethyl)piperidine-3-carboxamide?
The IUPAC name of N-[(2-methoxyphenyl)methyl]-1-(naphthalen-1-ylmethyl)piperidine-3-carboxamide (CID 43921128) is N-[(2-methoxyphenyl)methyl]-1-(naphthalen-1-ylmethyl)piperidine-3-carboxamide.
What is the SMILES notation for N-[(2-methoxyphenyl)methyl]-1-(naphthalen-1-ylmethyl)piperidine-3-carboxamide?
The canonical SMILES for N-[(2-methoxyphenyl)methyl]-1-(naphthalen-1-ylmethyl)piperidine-3-carboxamide is COc1ccccc1CNC(=O)C1CCCN(Cc2cccc3ccccc23)C1.
What is the InChIKey of N-[(2-methoxyphenyl)methyl]-1-(naphthalen-1-ylmethyl)piperidine-3-carboxamide?
The InChIKey is OCELGUZTHKGSPV-UHFFFAOYSA-N. The full InChI is InChI=1S/C25H28N2O2/c1-29-24-14-5-3-9-20(24)16-26-25(28)22-12-7-15-27(18-22)17-21-11-6-10-19-8-2-4-13-23(19)21/h2-6,8-11,13-14,22H,7,12,15-18H2,1H3,(H,26,28).
What are the key properties of N-[(2-methoxyphenyl)methyl]-1-(naphthalen-1-ylmethyl)piperidine-3-carboxamide?
N-[(2-methoxyphenyl)methyl]-1-(naphthalen-1-ylmethyl)piperidine-3-carboxamide has a molecular weight of 388.51 g/mol, XLogP of 4.38, 6 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(2-methoxyphenyl)methyl]-1-(naphthalen-1-ylmethyl)piperidine-3-carboxamide is sourced from PubChem (CID 43921128), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).