1-benzyl-N-(4-phenoxyphenyl)piperidine-3-carboxamide

C25H26N2O2 — CID 43919796

IUPAC1-benzyl-N-(4-phenoxyphenyl)piperidine-3-carboxamide
SMILESO=C(Nc1ccc(Oc2ccccc2)cc1)C1CCCN(Cc2ccccc2)C1
InChIInChI=1S/C25H26N2O2/c28-25(21-10-7-17-27(19-21)18-20-8-3-1-4-9-20)26-22-13-15-24(16-14-22)29-23-11-5-2-6-12-23/h1-6,8-9,11-16,21H,7,10,17-19H2,(H,26,28)
InChIKeyMTCRHBKOMXRTHQ-UHFFFAOYSA-N
MW386.50 g/mol
LogP5.33
Rot. Bonds6

About 1-benzyl-N-(4-phenoxyphenyl)piperidine-3-carboxamide

1-benzyl-N-(4-phenoxyphenyl)piperidine-3-carboxamide (PubChem CID 43919796) has the molecular formula C25H26N2O2 and a molecular weight of 386.50 g/mol. Its IUPAC name is 1-benzyl-N-(4-phenoxyphenyl)piperidine-3-carboxamide.

Molecular Properties

Compound Name1-benzyl-N-(4-phenoxyphenyl)piperidine-3-carboxamide
PubChem CID43919796
Molecular FormulaC25H26N2O2
Molecular Weight386.50 g/mol
Exact Mass386.20
IUPAC Name1-benzyl-N-(4-phenoxyphenyl)piperidine-3-carboxamide
SMILESO=C(Nc1ccc(Oc2ccccc2)cc1)C1CCCN(Cc2ccccc2)C1
InChIInChI=1S/C25H26N2O2/c28-25(21-10-7-17-27(19-21)18-20-8-3-1-4-9-20)26-22-13-15-24(16-14-22)29-23-11-5-2-6-12-23/h1-6,8-9,11-16,21H,7,10,17-19H2,(H,26,28)
InChIKeyMTCRHBKOMXRTHQ-UHFFFAOYSA-N
XLogP5.33
TPSA41.57 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms29
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500386.50
LogP ≤ 55.33
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

(3S)-1-benzyl-N-(4-phenoxyphenyl)piperidine-3-carboxamide
CID 93490714
1-benzyl-N-(4-phenylmethoxyphenyl)piperidine-3-carboxamide
CID 43922210
1-benzyl-N-(4-propan-2-yloxyphenyl)piperidine-3-carboxamide
CID 43925293
1-benzyl-N-[3-(phenylcarbamoylamino)phenyl]piperidine-3-carboxamide
CID 47074842
1-benzyl-N-(3,4-dichlorophenyl)piperidine-3-carboxamide
CID 43925060
(3S)-1-[(2-chlorophenyl)methyl]-N-(4-phenylmethoxyphenyl)piperidine-3-carboxamide
CID 93491646
(3S)-1-benzyl-N-(3,4-dimethylphenyl)piperidine-3-carboxamide
CID 93490442
1-benzyl-N-[3-(trifluoromethoxy)phenyl]piperidine-3-carboxamide
CID 60563034
(3S)-1-benzyl-N-(3-chlorophenyl)piperidine-3-carboxamide
CID 93490524
1-[(4-chlorophenyl)methyl]-N-(4-phenoxyphenyl)piperidine-4-carboxamide
CID 45022180
(3R)-1-benzyl-N-(3-chlorophenyl)piperidine-3-carboxamide
CID 93490525
1-[[3-(4-chlorophenyl)-1,2,4-oxadiazol-5-yl]methyl]-N-(4-phenoxyphenyl)piperidine-3-carboxamide
CID 43933246

Frequently Asked Questions

What is the IUPAC name of 1-benzyl-N-(4-phenoxyphenyl)piperidine-3-carboxamide?
The IUPAC name of 1-benzyl-N-(4-phenoxyphenyl)piperidine-3-carboxamide (CID 43919796) is 1-benzyl-N-(4-phenoxyphenyl)piperidine-3-carboxamide.
What is the SMILES notation for 1-benzyl-N-(4-phenoxyphenyl)piperidine-3-carboxamide?
The canonical SMILES for 1-benzyl-N-(4-phenoxyphenyl)piperidine-3-carboxamide is O=C(Nc1ccc(Oc2ccccc2)cc1)C1CCCN(Cc2ccccc2)C1.
What is the InChIKey of 1-benzyl-N-(4-phenoxyphenyl)piperidine-3-carboxamide?
The InChIKey is MTCRHBKOMXRTHQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C25H26N2O2/c28-25(21-10-7-17-27(19-21)18-20-8-3-1-4-9-20)26-22-13-15-24(16-14-22)29-23-11-5-2-6-12-23/h1-6,8-9,11-16,21H,7,10,17-19H2,(H,26,28).
What are the key properties of 1-benzyl-N-(4-phenoxyphenyl)piperidine-3-carboxamide?
1-benzyl-N-(4-phenoxyphenyl)piperidine-3-carboxamide has a molecular weight of 386.50 g/mol, XLogP of 5.33, 6 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-benzyl-N-(4-phenoxyphenyl)piperidine-3-carboxamide is sourced from PubChem (CID 43919796), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).