N-[(3-chlorophenyl)methyl]-1-[[3-(2-methoxyphenyl)phenyl]methyl]piperidine-3-carboxamide

C27H29ClN2O2 — CID 134796270

IUPACN-[(3-chlorophenyl)methyl]-1-[[3-(2-methoxyphenyl)phenyl]methyl]piperidine-3-carboxamide
SMILESCOc1ccccc1-c1cccc(CN2CCCC(C(=O)NCc3cccc(Cl)c3)C2)c1
InChIInChI=1S/C27H29ClN2O2/c1-32-26-13-3-2-12-25(26)22-9-4-8-21(15-22)18-30-14-6-10-23(19-30)27(31)29-17-20-7-5-11-24(28)16-20/h2-5,7-9,11-13,15-16,23H,6,10,14,17-19H2,1H3,(H,29,31)
InChIKeyWFNJXVHVFPWOEN-UHFFFAOYSA-N
MW448.99 g/mol
LogP5.54
Rot. Bonds7

About N-[(3-chlorophenyl)methyl]-1-[[3-(2-methoxyphenyl)phenyl]methyl]piperidine-3-carboxamide

N-[(3-chlorophenyl)methyl]-1-[[3-(2-methoxyphenyl)phenyl]methyl]piperidine-3-carboxamide (PubChem CID 134796270) has the molecular formula C27H29ClN2O2 and a molecular weight of 448.99 g/mol. Its IUPAC name is N-[(3-chlorophenyl)methyl]-1-[[3-(2-methoxyphenyl)phenyl]methyl]piperidine-3-carboxamide.

Molecular Properties

Compound NameN-[(3-chlorophenyl)methyl]-1-[[3-(2-methoxyphenyl)phenyl]methyl]piperidine-3-carboxamide
PubChem CID134796270
Molecular FormulaC27H29ClN2O2
Molecular Weight448.99 g/mol
Exact Mass448.19
IUPAC NameN-[(3-chlorophenyl)methyl]-1-[[3-(2-methoxyphenyl)phenyl]methyl]piperidine-3-carboxamide
SMILESCOc1ccccc1-c1cccc(CN2CCCC(C(=O)NCc3cccc(Cl)c3)C2)c1
InChIInChI=1S/C27H29ClN2O2/c1-32-26-13-3-2-12-25(26)22-9-4-8-21(15-22)18-30-14-6-10-23(19-30)27(31)29-17-20-7-5-11-24(28)16-20/h2-5,7-9,11-13,15-16,23H,6,10,14,17-19H2,1H3,(H,29,31)
InChIKeyWFNJXVHVFPWOEN-UHFFFAOYSA-N
XLogP5.54
TPSA41.57 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds7
Heavy Atoms32
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500448.99
LogP ≤ 55.54
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

N-[[3-(azepan-1-ylmethyl)phenyl]methyl]-1-[(3-chlorophenyl)methyl]piperidine-3-carboxamide
CID 43917396
(3S)-1-[(4-chlorophenyl)methyl]-N-[(2,6-dimethoxyphenyl)methyl]piperidine-3-carboxamide
CID 100777606
N,1-dibenzylpiperidine-3-carboxamide
CID 43918745
1-[[3-(2,4-difluorophenyl)phenyl]methyl]-N-[(4-fluorophenyl)methyl]piperidine-3-carboxamide
CID 134801935
(3S)-1-[(2,6-dichlorophenyl)methyl]-N-[(2,6-dimethoxyphenyl)methyl]piperidine-3-carboxamide
CID 100778330
1-[(2,4-dichlorophenyl)methyl]-N-[[3-(piperidin-1-ylmethyl)phenyl]methyl]piperidine-3-carboxamide
CID 43917427
(3R)-1-[(2-chlorophenyl)methyl]-N-[(3,4,5-trimethoxyphenyl)methyl]piperidine-3-carboxamide
CID 94023181
N-[[3-(azepan-1-ylmethyl)phenyl]methyl]-1-[(3,4-dichlorophenyl)methyl]piperidine-3-carboxamide
CID 43917450
1-[(3-chlorophenyl)methyl]-N-[[4-[(3-methylpiperidin-1-yl)methyl]phenyl]methyl]piperidine-4-carboxamide
CID 43917655
N-[(4-methoxyphenyl)methyl]-1-[(3-thiophen-2-ylphenyl)methyl]piperidine-3-carboxamide
CID 134799941
(3R)-1-[(4-fluorophenyl)methyl]-N-[(3-methylphenyl)methyl]piperidine-3-carboxamide
CID 94022035
N-(2-tert-butylsulfanylethyl)-1-[(3-chlorophenyl)methyl]piperidine-3-carboxamide
CID 43922745

Frequently Asked Questions

What is the IUPAC name of N-[(3-chlorophenyl)methyl]-1-[[3-(2-methoxyphenyl)phenyl]methyl]piperidine-3-carboxamide?
The IUPAC name of N-[(3-chlorophenyl)methyl]-1-[[3-(2-methoxyphenyl)phenyl]methyl]piperidine-3-carboxamide (CID 134796270) is N-[(3-chlorophenyl)methyl]-1-[[3-(2-methoxyphenyl)phenyl]methyl]piperidine-3-carboxamide.
What is the SMILES notation for N-[(3-chlorophenyl)methyl]-1-[[3-(2-methoxyphenyl)phenyl]methyl]piperidine-3-carboxamide?
The canonical SMILES for N-[(3-chlorophenyl)methyl]-1-[[3-(2-methoxyphenyl)phenyl]methyl]piperidine-3-carboxamide is COc1ccccc1-c1cccc(CN2CCCC(C(=O)NCc3cccc(Cl)c3)C2)c1.
What is the InChIKey of N-[(3-chlorophenyl)methyl]-1-[[3-(2-methoxyphenyl)phenyl]methyl]piperidine-3-carboxamide?
The InChIKey is WFNJXVHVFPWOEN-UHFFFAOYSA-N. The full InChI is InChI=1S/C27H29ClN2O2/c1-32-26-13-3-2-12-25(26)22-9-4-8-21(15-22)18-30-14-6-10-23(19-30)27(31)29-17-20-7-5-11-24(28)16-20/h2-5,7-9,11-13,15-16,23H,6,10,14,17-19H2,1H3,(H,29,31).
What are the key properties of N-[(3-chlorophenyl)methyl]-1-[[3-(2-methoxyphenyl)phenyl]methyl]piperidine-3-carboxamide?
N-[(3-chlorophenyl)methyl]-1-[[3-(2-methoxyphenyl)phenyl]methyl]piperidine-3-carboxamide has a molecular weight of 448.99 g/mol, XLogP of 5.54, 7 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(3-chlorophenyl)methyl]-1-[[3-(2-methoxyphenyl)phenyl]methyl]piperidine-3-carboxamide is sourced from PubChem (CID 134796270), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).