N-(1,4-diphenylbutyl)piperidine-4-carboxamide

C22H28N2O — CID 119274203

IUPACN-(1,4-diphenylbutyl)piperidine-4-carboxamide
SMILESO=C(NC(CCCc1ccccc1)c1ccccc1)C1CCNCC1
InChIInChI=1S/C22H28N2O/c25-22(20-14-16-23-17-15-20)24-21(19-11-5-2-6-12-19)13-7-10-18-8-3-1-4-9-18/h1-6,8-9,11-12,20-21,23H,7,10,13-17H2,(H,24,25)
InChIKeySYYXZRAZFARSGB-UHFFFAOYSA-N
MW336.48 g/mol
LogP3.87
Rot. Bonds7

About N-(1,4-diphenylbutyl)piperidine-4-carboxamide

N-(1,4-diphenylbutyl)piperidine-4-carboxamide (PubChem CID 119274203) has the molecular formula C22H28N2O and a molecular weight of 336.48 g/mol. Its IUPAC name is N-(1,4-diphenylbutyl)piperidine-4-carboxamide.

Molecular Properties

Compound NameN-(1,4-diphenylbutyl)piperidine-4-carboxamide
PubChem CID119274203
Molecular FormulaC22H28N2O
Molecular Weight336.48 g/mol
Exact Mass336.22
IUPAC NameN-(1,4-diphenylbutyl)piperidine-4-carboxamide
SMILESO=C(NC(CCCc1ccccc1)c1ccccc1)C1CCNCC1
InChIInChI=1S/C22H28N2O/c25-22(20-14-16-23-17-15-20)24-21(19-11-5-2-6-12-19)13-7-10-18-8-3-1-4-9-18/h1-6,8-9,11-12,20-21,23H,7,10,13-17H2,(H,24,25)
InChIKeySYYXZRAZFARSGB-UHFFFAOYSA-N
XLogP3.87
TPSA41.13 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds7
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500336.48
LogP ≤ 53.87
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Related Compounds

N-[(1R)-2-hydroxy-1-phenylethyl]piperidine-4-carboxamide
CID 103951345
N-(1-phenylpropyl)piperidine-4-carboxamide;hydrochloride
CID 119279862
2-(1,4-diphenylbutylcarbamoyl)cyclobutane-1-carboxylic acid
CID 120974597
4-(1,3-diphenylpropylcarbamoyl)cyclohexane-1-carboxylic acid
CID 120674093
4-phenyl-2-(piperidine-4-carbonylamino)butanoic acid
CID 114917637
N-(2-methoxy-1-phenylethyl)piperidine-4-carboxamide
CID 119315130
N-(2-methoxy-1-phenylethyl)piperidine-4-carboxamide;hydrochloride
CID 119315129
N-(2-cyclohexyl-1-phenylethyl)piperidine-4-carboxamide;hydrochloride
CID 119314809
N-benzhydrylpiperidine-4-carboxamide
CID 119263888
N-(1-phenylhexan-3-yl)piperidine-4-carboxamide
CID 119334584
propan-2-yl 3-phenyl-3-(piperidine-4-carbonylamino)propanoate
CID 119274330
N-(1,5-diphenylpentan-3-yl)pyrrolidine-3-carboxamide;hydrochloride
CID 119813623

Frequently Asked Questions

What is the IUPAC name of N-(1,4-diphenylbutyl)piperidine-4-carboxamide?
The IUPAC name of N-(1,4-diphenylbutyl)piperidine-4-carboxamide (CID 119274203) is N-(1,4-diphenylbutyl)piperidine-4-carboxamide.
What is the SMILES notation for N-(1,4-diphenylbutyl)piperidine-4-carboxamide?
The canonical SMILES for N-(1,4-diphenylbutyl)piperidine-4-carboxamide is O=C(NC(CCCc1ccccc1)c1ccccc1)C1CCNCC1.
What is the InChIKey of N-(1,4-diphenylbutyl)piperidine-4-carboxamide?
The InChIKey is SYYXZRAZFARSGB-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H28N2O/c25-22(20-14-16-23-17-15-20)24-21(19-11-5-2-6-12-19)13-7-10-18-8-3-1-4-9-18/h1-6,8-9,11-12,20-21,23H,7,10,13-17H2,(H,24,25).
What are the key properties of N-(1,4-diphenylbutyl)piperidine-4-carboxamide?
N-(1,4-diphenylbutyl)piperidine-4-carboxamide has a molecular weight of 336.48 g/mol, XLogP of 3.87, 7 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-(1,4-diphenylbutyl)piperidine-4-carboxamide is sourced from PubChem (CID 119274203), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).