N-benzyl-1-(2-phenylpropanoyl)piperidine-4-carboxamide

C22H26N2O2 — CID 11035504

IUPACN-benzyl-1-(2-phenylpropanoyl)piperidine-4-carboxamide
SMILESCC(C(=O)N1CCC(C(=O)NCc2ccccc2)CC1)c1ccccc1
InChIInChI=1S/C22H26N2O2/c1-17(19-10-6-3-7-11-19)22(26)24-14-12-20(13-15-24)21(25)23-16-18-8-4-2-5-9-18/h2-11,17,20H,12-16H2,1H3,(H,23,25)
InChIKeyZJAGOTOAZHCXKQ-UHFFFAOYSA-N
MW350.46 g/mol
LogP3.35
Rot. Bonds5

About N-benzyl-1-(2-phenylpropanoyl)piperidine-4-carboxamide

N-benzyl-1-(2-phenylpropanoyl)piperidine-4-carboxamide (PubChem CID 11035504) has the molecular formula C22H26N2O2 and a molecular weight of 350.46 g/mol. Its IUPAC name is N-benzyl-1-(2-phenylpropanoyl)piperidine-4-carboxamide.

Molecular Properties

Compound NameN-benzyl-1-(2-phenylpropanoyl)piperidine-4-carboxamide
PubChem CID11035504
Molecular FormulaC22H26N2O2
Molecular Weight350.46 g/mol
Exact Mass350.20
IUPAC NameN-benzyl-1-(2-phenylpropanoyl)piperidine-4-carboxamide
SMILESCC(C(=O)N1CCC(C(=O)NCc2ccccc2)CC1)c1ccccc1
InChIInChI=1S/C22H26N2O2/c1-17(19-10-6-3-7-11-19)22(26)24-14-12-20(13-15-24)21(25)23-16-18-8-4-2-5-9-18/h2-11,17,20H,12-16H2,1H3,(H,23,25)
InChIKeyZJAGOTOAZHCXKQ-UHFFFAOYSA-N
XLogP3.35
TPSA49.41 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500350.46
LogP ≤ 53.35
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

N-benzyl-1-(2-methoxypropanoyl)piperidine-4-carboxamide
CID 87024119
N-benzyl-1-(2-phenyl-2-pyrrolidin-1-ylacetyl)piperidine-4-carboxamide
CID 86888388
1-(2-amino-4-methylsulfanylbutanoyl)-N-benzylpiperidine-4-carboxamide
CID 119273087
N-[(4-fluorophenyl)methyl]-1-(2-methyl-3-phenylsulfanylpropanoyl)piperidine-4-carboxamide
CID 86935077
N-benzyl-1-[(2R)-2-(3-methyl-4-propan-2-ylphenoxy)propanoyl]piperidine-4-carboxamide
CID 51958452
N-benzyl-1-[2-[(4-tert-butylbenzoyl)amino]acetyl]piperidine-4-carboxamide
CID 46655762
1-(3-aminopropanoyl)-N-benzylpiperidine-4-carboxamide;hydrochloride
CID 119273066
(2R)-2-phenyl-1-[4-[(2R)-2-phenylpropanoyl]piperazin-1-yl]propan-1-one
CID 94855656
4-N-benzyl-1-N-(1-cyclopropylpiperidin-4-yl)piperidine-1,4-dicarboxamide
CID 87003142
N-benzylcyclobutanecarboxamide
CID 730128
N-benzylcyclopentanecarboxamide
CID 835634
N-benzyl-1-[2-(2-methoxyethylamino)acetyl]piperidine-4-carboxamide
CID 119692938

Frequently Asked Questions

What is the IUPAC name of N-benzyl-1-(2-phenylpropanoyl)piperidine-4-carboxamide?
The IUPAC name of N-benzyl-1-(2-phenylpropanoyl)piperidine-4-carboxamide (CID 11035504) is N-benzyl-1-(2-phenylpropanoyl)piperidine-4-carboxamide.
What is the SMILES notation for N-benzyl-1-(2-phenylpropanoyl)piperidine-4-carboxamide?
The canonical SMILES for N-benzyl-1-(2-phenylpropanoyl)piperidine-4-carboxamide is CC(C(=O)N1CCC(C(=O)NCc2ccccc2)CC1)c1ccccc1.
What is the InChIKey of N-benzyl-1-(2-phenylpropanoyl)piperidine-4-carboxamide?
The InChIKey is ZJAGOTOAZHCXKQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H26N2O2/c1-17(19-10-6-3-7-11-19)22(26)24-14-12-20(13-15-24)21(25)23-16-18-8-4-2-5-9-18/h2-11,17,20H,12-16H2,1H3,(H,23,25).
What are the key properties of N-benzyl-1-(2-phenylpropanoyl)piperidine-4-carboxamide?
N-benzyl-1-(2-phenylpropanoyl)piperidine-4-carboxamide has a molecular weight of 350.46 g/mol, XLogP of 3.35, 5 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-benzyl-1-(2-phenylpropanoyl)piperidine-4-carboxamide is sourced from PubChem (CID 11035504), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).