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

C25H25ClN2O2 — CID 45022180

IUPAC1-[(4-chlorophenyl)methyl]-N-(4-phenoxyphenyl)piperidine-4-carboxamide
SMILESO=C(Nc1ccc(Oc2ccccc2)cc1)C1CCN(Cc2ccc(Cl)cc2)CC1
InChIInChI=1S/C25H25ClN2O2/c26-21-8-6-19(7-9-21)18-28-16-14-20(15-17-28)25(29)27-22-10-12-24(13-11-22)30-23-4-2-1-3-5-23/h1-13,20H,14-18H2,(H,27,29)
InChIKeyYSCLOFJOLYZQKB-UHFFFAOYSA-N
MW420.94 g/mol
LogP5.98
Rot. Bonds6

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

1-[(4-chlorophenyl)methyl]-N-(4-phenoxyphenyl)piperidine-4-carboxamide (PubChem CID 45022180) has the molecular formula C25H25ClN2O2 and a molecular weight of 420.94 g/mol. Its IUPAC name is 1-[(4-chlorophenyl)methyl]-N-(4-phenoxyphenyl)piperidine-4-carboxamide.

Molecular Properties

Compound Name1-[(4-chlorophenyl)methyl]-N-(4-phenoxyphenyl)piperidine-4-carboxamide
PubChem CID45022180
Molecular FormulaC25H25ClN2O2
Molecular Weight420.94 g/mol
Exact Mass420.16
IUPAC Name1-[(4-chlorophenyl)methyl]-N-(4-phenoxyphenyl)piperidine-4-carboxamide
SMILESO=C(Nc1ccc(Oc2ccccc2)cc1)C1CCN(Cc2ccc(Cl)cc2)CC1
InChIInChI=1S/C25H25ClN2O2/c26-21-8-6-19(7-9-21)18-28-16-14-20(15-17-28)25(29)27-22-10-12-24(13-11-22)30-23-4-2-1-3-5-23/h1-13,20H,14-18H2,(H,27,29)
InChIKeyYSCLOFJOLYZQKB-UHFFFAOYSA-N
XLogP5.98
TPSA41.57 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms30
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500420.94
LogP ≤ 55.98
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

1-[(4-fluorophenyl)methyl]-N-(4-phenoxyphenyl)piperidine-4-carboxamide
CID 45014769
1-[(4-chloro-2-fluorophenyl)methyl]-N-(4-phenoxyphenyl)piperidine-4-carboxamide
CID 100683953
1-[(4-phenoxyphenyl)methyl]piperidine-4-carboxylic acid
CID 3912866
1-benzyl-N-(4-phenoxyphenyl)piperidine-3-carboxamide
CID 43919796
(3S)-1-benzyl-N-(4-phenoxyphenyl)piperidine-3-carboxamide
CID 93490714
1-acetyl-N-[4-(4-chlorophenoxy)phenyl]piperidine-4-carboxamide
CID 6468150
1-[(3-chlorophenyl)methyl]-N-phenylpiperidine-4-carboxamide
CID 18089102
1-[(4-chlorophenyl)methyl]-N-(4-morpholin-4-ylphenyl)piperidine-4-carboxamide
CID 100522699
N-(4-methoxyphenyl)-1-[(4-methylphenyl)methyl]piperidine-4-carboxamide
CID 53284727
N-(4-fluorophenyl)-1-[(4-fluorophenyl)methyl]piperidine-4-carboxamide
CID 45019225
1-[(2-chlorophenyl)methyl]-N-(4-phenylmethoxyphenyl)piperidine-4-carboxamide
CID 45014267
1-[(4-chlorophenyl)methyl]-N-(3-fluorophenyl)piperidine-4-carboxamide
CID 45019171

Frequently Asked Questions

What is the IUPAC name of 1-[(4-chlorophenyl)methyl]-N-(4-phenoxyphenyl)piperidine-4-carboxamide?
The IUPAC name of 1-[(4-chlorophenyl)methyl]-N-(4-phenoxyphenyl)piperidine-4-carboxamide (CID 45022180) is 1-[(4-chlorophenyl)methyl]-N-(4-phenoxyphenyl)piperidine-4-carboxamide.
What is the SMILES notation for 1-[(4-chlorophenyl)methyl]-N-(4-phenoxyphenyl)piperidine-4-carboxamide?
The canonical SMILES for 1-[(4-chlorophenyl)methyl]-N-(4-phenoxyphenyl)piperidine-4-carboxamide is O=C(Nc1ccc(Oc2ccccc2)cc1)C1CCN(Cc2ccc(Cl)cc2)CC1.
What is the InChIKey of 1-[(4-chlorophenyl)methyl]-N-(4-phenoxyphenyl)piperidine-4-carboxamide?
The InChIKey is YSCLOFJOLYZQKB-UHFFFAOYSA-N. The full InChI is InChI=1S/C25H25ClN2O2/c26-21-8-6-19(7-9-21)18-28-16-14-20(15-17-28)25(29)27-22-10-12-24(13-11-22)30-23-4-2-1-3-5-23/h1-13,20H,14-18H2,(H,27,29).
What are the key properties of 1-[(4-chlorophenyl)methyl]-N-(4-phenoxyphenyl)piperidine-4-carboxamide?
1-[(4-chlorophenyl)methyl]-N-(4-phenoxyphenyl)piperidine-4-carboxamide has a molecular weight of 420.94 g/mol, XLogP of 5.98, 6 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[(4-chlorophenyl)methyl]-N-(4-phenoxyphenyl)piperidine-4-carboxamide is sourced from PubChem (CID 45022180), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).