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

C22H28N2O — CID 46773938

IUPAC1-benzyl-N-(3-phenylpropyl)piperidine-4-carboxamide
SMILESO=C(NCCCc1ccccc1)C1CCN(Cc2ccccc2)CC1
InChIInChI=1S/C22H28N2O/c25-22(23-15-7-12-19-8-3-1-4-9-19)21-13-16-24(17-14-21)18-20-10-5-2-6-11-20/h1-6,8-11,21H,7,12-18H2,(H,23,25)
InChIKeyJUBVNFODYHIVAZ-UHFFFAOYSA-N
MW336.48 g/mol
LogP3.65
Rot. Bonds7

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

1-benzyl-N-(3-phenylpropyl)piperidine-4-carboxamide (PubChem CID 46773938) has the molecular formula C22H28N2O and a molecular weight of 336.48 g/mol. Its IUPAC name is 1-benzyl-N-(3-phenylpropyl)piperidine-4-carboxamide.

Molecular Properties

Compound Name1-benzyl-N-(3-phenylpropyl)piperidine-4-carboxamide
PubChem CID46773938
Molecular FormulaC22H28N2O
Molecular Weight336.48 g/mol
Exact Mass336.22
IUPAC Name1-benzyl-N-(3-phenylpropyl)piperidine-4-carboxamide
SMILESO=C(NCCCc1ccccc1)C1CCN(Cc2ccccc2)CC1
InChIInChI=1S/C22H28N2O/c25-22(23-15-7-12-19-8-3-1-4-9-19)21-13-16-24(17-14-21)18-20-10-5-2-6-11-20/h1-6,8-11,21H,7,12-18H2,(H,23,25)
InChIKeyJUBVNFODYHIVAZ-UHFFFAOYSA-N
XLogP3.65
TPSA32.34 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds7
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500336.48
LogP ≤ 53.65
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}

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Related Compounds

1-benzyl-N-pentylpiperidine-4-carboxamide
CID 45011479
N-[3-(2-chlorophenyl)propyl]-1-[(3,4-dichlorophenyl)methyl]piperidine-4-carboxamide
CID 46773335
1-benzyl-N-[2-[4-(dimethylamino)piperidin-1-yl]ethyl]piperidine-4-carboxamide
CID 136512544
1-benzyl-N-prop-2-enylpiperidine-4-carboxamide
CID 25246491
1-benzyl-N-(2,2-dimethylpropyl)piperidine-4-carboxamide
CID 141383860
1-[(2,6-dichlorophenyl)methyl]-N-[3-(3-methylphenyl)propyl]piperidine-4-carboxamide
CID 46774026
1-[(2-chloro-6-fluorophenyl)methyl]-N-(2-phenylethyl)piperidine-4-carboxamide
CID 2903396
N-[3-(4-chlorophenyl)propyl]-1-[(2,4-dichlorophenyl)methyl]piperidine-4-carboxamide
CID 46773378
1-[(3-methoxyphenyl)methyl]-N-(2-phenylethyl)piperidine-4-carboxamide
CID 1343442
1-[2-oxo-2-(3-phenylpropylamino)ethyl]piperidine-4-carboxylic acid
CID 119908236
1-[(2-chlorophenyl)methylsulfonyl]-N-(3-phenylpropyl)piperidine-4-carboxamide
CID 28637020
1-[(3,4-dichlorophenyl)methyl]-N-[3-(4-methoxyphenyl)propyl]piperidine-4-carboxamide
CID 46773556

Frequently Asked Questions

What is the IUPAC name of 1-benzyl-N-(3-phenylpropyl)piperidine-4-carboxamide?
The IUPAC name of 1-benzyl-N-(3-phenylpropyl)piperidine-4-carboxamide (CID 46773938) is 1-benzyl-N-(3-phenylpropyl)piperidine-4-carboxamide.
What is the SMILES notation for 1-benzyl-N-(3-phenylpropyl)piperidine-4-carboxamide?
The canonical SMILES for 1-benzyl-N-(3-phenylpropyl)piperidine-4-carboxamide is O=C(NCCCc1ccccc1)C1CCN(Cc2ccccc2)CC1.
What is the InChIKey of 1-benzyl-N-(3-phenylpropyl)piperidine-4-carboxamide?
The InChIKey is JUBVNFODYHIVAZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H28N2O/c25-22(23-15-7-12-19-8-3-1-4-9-19)21-13-16-24(17-14-21)18-20-10-5-2-6-11-20/h1-6,8-11,21H,7,12-18H2,(H,23,25).
What are the key properties of 1-benzyl-N-(3-phenylpropyl)piperidine-4-carboxamide?
1-benzyl-N-(3-phenylpropyl)piperidine-4-carboxamide has a molecular weight of 336.48 g/mol, XLogP of 3.65, 7 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-benzyl-N-(3-phenylpropyl)piperidine-4-carboxamide is sourced from PubChem (CID 46773938), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).