1-[(2-chlorophenyl)methyl]-N-[(4-methoxyphenyl)methyl]piperidine-4-carboxamide

C21H25ClN2O2 — CID 25246790

IUPAC1-[(2-chlorophenyl)methyl]-N-[(4-methoxyphenyl)methyl]piperidine-4-carboxamide
SMILESCOc1ccc(CNC(=O)C2CCN(Cc3ccccc3Cl)CC2)cc1
InChIInChI=1S/C21H25ClN2O2/c1-26-19-8-6-16(7-9-19)14-23-21(25)17-10-12-24(13-11-17)15-18-4-2-3-5-20(18)22/h2-9,17H,10-15H2,1H3,(H,23,25)
InChIKeyWODYHMUTKSYVDX-UHFFFAOYSA-N
MW372.90 g/mol
LogP3.88
Rot. Bonds6

About 1-[(2-chlorophenyl)methyl]-N-[(4-methoxyphenyl)methyl]piperidine-4-carboxamide

1-[(2-chlorophenyl)methyl]-N-[(4-methoxyphenyl)methyl]piperidine-4-carboxamide (PubChem CID 25246790) has the molecular formula C21H25ClN2O2 and a molecular weight of 372.90 g/mol. Its IUPAC name is 1-[(2-chlorophenyl)methyl]-N-[(4-methoxyphenyl)methyl]piperidine-4-carboxamide.

Molecular Properties

Compound Name1-[(2-chlorophenyl)methyl]-N-[(4-methoxyphenyl)methyl]piperidine-4-carboxamide
PubChem CID25246790
Molecular FormulaC21H25ClN2O2
Molecular Weight372.90 g/mol
Exact Mass372.16
IUPAC Name1-[(2-chlorophenyl)methyl]-N-[(4-methoxyphenyl)methyl]piperidine-4-carboxamide
SMILESCOc1ccc(CNC(=O)C2CCN(Cc3ccccc3Cl)CC2)cc1
InChIInChI=1S/C21H25ClN2O2/c1-26-19-8-6-16(7-9-19)14-23-21(25)17-10-12-24(13-11-17)15-18-4-2-3-5-20(18)22/h2-9,17H,10-15H2,1H3,(H,23,25)
InChIKeyWODYHMUTKSYVDX-UHFFFAOYSA-N
XLogP3.88
TPSA41.57 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500372.90
LogP ≤ 53.88
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

1-[(2-chlorophenyl)methyl]-N-[(4-chlorophenyl)methyl]piperidine-4-carboxamide
CID 45007673
1-[(2-chlorophenyl)methyl]-N-[(3,4,5-trimethoxyphenyl)methyl]piperidine-4-carboxamide
CID 46775353
N-[(2-chlorophenyl)methyl]-1-[(2-hydroxy-3-methoxyphenyl)methyl]piperidine-4-carboxamide
CID 4319711
1-[(2-methoxyphenyl)methyl]-N-[(4-methylphenyl)methyl]piperidine-4-carboxamide
CID 1096579
1-[(2-chlorophenyl)methyl]-N-[(3-methylphenyl)methyl]piperidine-4-carboxamide
CID 45021309
1-[(2,4-dichlorophenyl)methyl]-N-[(3-methoxyphenyl)methyl]piperidine-4-carboxamide
CID 53284653
N-[(2-chlorophenyl)methyl]-1-[(3,4-dichlorophenyl)methyl]piperidine-4-carboxamide
CID 53284707
N-[(4-methoxyphenyl)methyl]-1-(3-phenylpropyl)piperidine-4-carboxamide
CID 41201070
1-[(2-chlorophenyl)methyl]-N-[[3-(piperidin-1-ylmethyl)phenyl]methyl]piperidine-4-carboxamide
CID 43917643
N-[(4-methoxyphenyl)methyl]-1-[(3-phenylmethoxyphenyl)methyl]piperidine-4-carboxamide
CID 4551423
methyl 3-[4-[(4-methoxyphenyl)methylcarbamoyl]piperidin-1-yl]propanoate
CID 10882206
N-benzyl-1-(naphthalen-1-ylmethyl)piperidine-4-carboxamide
CID 27107036

Frequently Asked Questions

What is the IUPAC name of 1-[(2-chlorophenyl)methyl]-N-[(4-methoxyphenyl)methyl]piperidine-4-carboxamide?
The IUPAC name of 1-[(2-chlorophenyl)methyl]-N-[(4-methoxyphenyl)methyl]piperidine-4-carboxamide (CID 25246790) is 1-[(2-chlorophenyl)methyl]-N-[(4-methoxyphenyl)methyl]piperidine-4-carboxamide.
What is the SMILES notation for 1-[(2-chlorophenyl)methyl]-N-[(4-methoxyphenyl)methyl]piperidine-4-carboxamide?
The canonical SMILES for 1-[(2-chlorophenyl)methyl]-N-[(4-methoxyphenyl)methyl]piperidine-4-carboxamide is COc1ccc(CNC(=O)C2CCN(Cc3ccccc3Cl)CC2)cc1.
What is the InChIKey of 1-[(2-chlorophenyl)methyl]-N-[(4-methoxyphenyl)methyl]piperidine-4-carboxamide?
The InChIKey is WODYHMUTKSYVDX-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H25ClN2O2/c1-26-19-8-6-16(7-9-19)14-23-21(25)17-10-12-24(13-11-17)15-18-4-2-3-5-20(18)22/h2-9,17H,10-15H2,1H3,(H,23,25).
What are the key properties of 1-[(2-chlorophenyl)methyl]-N-[(4-methoxyphenyl)methyl]piperidine-4-carboxamide?
1-[(2-chlorophenyl)methyl]-N-[(4-methoxyphenyl)methyl]piperidine-4-carboxamide has a molecular weight of 372.90 g/mol, XLogP of 3.88, 6 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[(2-chlorophenyl)methyl]-N-[(4-methoxyphenyl)methyl]piperidine-4-carboxamide is sourced from PubChem (CID 25246790), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).