N-[4-(4-benzylpiperidin-1-yl)phenyl]butanamide

C22H28N2O — CID 112985401

IUPACN-[4-(4-benzylpiperidin-1-yl)phenyl]butanamide
SMILESCCCC(=O)Nc1ccc(N2CCC(Cc3ccccc3)CC2)cc1
InChIInChI=1S/C22H28N2O/c1-2-6-22(25)23-20-9-11-21(12-10-20)24-15-13-19(14-16-24)17-18-7-4-3-5-8-18/h3-5,7-12,19H,2,6,13-17H2,1H3,(H,23,25)
InChIKeyGTGRCOVGRJQNOA-UHFFFAOYSA-N
MW336.48 g/mol
LogP4.88
Rot. Bonds6

About N-[4-(4-benzylpiperidin-1-yl)phenyl]butanamide

N-[4-(4-benzylpiperidin-1-yl)phenyl]butanamide (PubChem CID 112985401) has the molecular formula C22H28N2O and a molecular weight of 336.48 g/mol. Its IUPAC name is N-[4-(4-benzylpiperidin-1-yl)phenyl]butanamide.

Molecular Properties

Compound NameN-[4-(4-benzylpiperidin-1-yl)phenyl]butanamide
PubChem CID112985401
Molecular FormulaC22H28N2O
Molecular Weight336.48 g/mol
Exact Mass336.22
IUPAC NameN-[4-(4-benzylpiperidin-1-yl)phenyl]butanamide
SMILESCCCC(=O)Nc1ccc(N2CCC(Cc3ccccc3)CC2)cc1
InChIInChI=1S/C22H28N2O/c1-2-6-22(25)23-20-9-11-21(12-10-20)24-15-13-19(14-16-24)17-18-7-4-3-5-8-18/h3-5,7-12,19H,2,6,13-17H2,1H3,(H,23,25)
InChIKeyGTGRCOVGRJQNOA-UHFFFAOYSA-N
XLogP4.88
TPSA32.34 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds6
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500336.48
LogP ≤ 54.88
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'anil_di_alk_A(478)', 'substructure': 'N/A'}

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Related Compounds

N-[5-(4-benzylpiperidin-1-yl)-2-pyridinyl]pentanamide
CID 113030633
N-(4-acetamidophenyl)-3-(4-benzylpiperidin-1-yl)propanamide
CID 109032583
N-[4-(4-benzylpiperidin-1-yl)phenyl]furan-2-carboxamide
CID 112985405
N-[4-(4-methoxypiperidin-1-yl)phenyl]butanamide
CID 90595801
2-(4-benzylpiperidin-1-yl)-5-(butanoylamino)-N-(2-phenylethyl)benzamide
CID 3879106
4-(4-benzylpiperidin-1-yl)benzoic acid
CID 22730857
N-[4-(azepan-1-yl)phenyl]butanamide
CID 60593025
1-[4-(4-benzylpiperidin-1-yl)phenyl]ethanone
CID 39402702
2-(4-benzylpiperidin-1-yl)-5-(butanoylamino)-N-(2-morpholin-4-ylethyl)benzamide
CID 42751292
2-(4-benzylpiperidin-1-yl)-N-(4-ethylphenyl)acetamide
CID 17380707
N-[4-(4-oxopiperidin-1-yl)phenyl]butanamide
CID 22220544
4-benzyl-1-(4-methylphenyl)piperidine
CID 101028203

Frequently Asked Questions

What is the IUPAC name of N-[4-(4-benzylpiperidin-1-yl)phenyl]butanamide?
The IUPAC name of N-[4-(4-benzylpiperidin-1-yl)phenyl]butanamide (CID 112985401) is N-[4-(4-benzylpiperidin-1-yl)phenyl]butanamide.
What is the SMILES notation for N-[4-(4-benzylpiperidin-1-yl)phenyl]butanamide?
The canonical SMILES for N-[4-(4-benzylpiperidin-1-yl)phenyl]butanamide is CCCC(=O)Nc1ccc(N2CCC(Cc3ccccc3)CC2)cc1.
What is the InChIKey of N-[4-(4-benzylpiperidin-1-yl)phenyl]butanamide?
The InChIKey is GTGRCOVGRJQNOA-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H28N2O/c1-2-6-22(25)23-20-9-11-21(12-10-20)24-15-13-19(14-16-24)17-18-7-4-3-5-8-18/h3-5,7-12,19H,2,6,13-17H2,1H3,(H,23,25).
What are the key properties of N-[4-(4-benzylpiperidin-1-yl)phenyl]butanamide?
N-[4-(4-benzylpiperidin-1-yl)phenyl]butanamide has a molecular weight of 336.48 g/mol, XLogP of 4.88, 6 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-[4-(4-benzylpiperidin-1-yl)phenyl]butanamide is sourced from PubChem (CID 112985401), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).