1-[(2R)-2-cyano-4-phenylbutanoyl]piperidine-4-carboxamide

C17H21N3O2 — CID 124733844

IUPAC1-[(2R)-2-cyano-4-phenylbutanoyl]piperidine-4-carboxamide
SMILESN#C[C@@H](CCc1ccccc1)C(=O)N1CCC(C(N)=O)CC1
InChIInChI=1S/C17H21N3O2/c18-12-15(7-6-13-4-2-1-3-5-13)17(22)20-10-8-14(9-11-20)16(19)21/h1-5,14-15H,6-11H2,(H2,19,21)/t15-/m1/s1
InChIKeyLPZQFHBCKIXTAX-OAHLLOKOSA-N
MW299.37 g/mol
LogP1.48
Rot. Bonds5

About 1-[(2R)-2-cyano-4-phenylbutanoyl]piperidine-4-carboxamide

1-[(2R)-2-cyano-4-phenylbutanoyl]piperidine-4-carboxamide (PubChem CID 124733844) has the molecular formula C17H21N3O2 and a molecular weight of 299.37 g/mol. Its IUPAC name is 1-[(2R)-2-cyano-4-phenylbutanoyl]piperidine-4-carboxamide.

Molecular Properties

Compound Name1-[(2R)-2-cyano-4-phenylbutanoyl]piperidine-4-carboxamide
PubChem CID124733844
Molecular FormulaC17H21N3O2
Molecular Weight299.37 g/mol
Exact Mass299.16
IUPAC Name1-[(2R)-2-cyano-4-phenylbutanoyl]piperidine-4-carboxamide
SMILESN#C[C@@H](CCc1ccccc1)C(=O)N1CCC(C(N)=O)CC1
InChIInChI=1S/C17H21N3O2/c18-12-15(7-6-13-4-2-1-3-5-13)17(22)20-10-8-14(9-11-20)16(19)21/h1-5,14-15H,6-11H2,(H2,19,21)/t15-/m1/s1
InChIKeyLPZQFHBCKIXTAX-OAHLLOKOSA-N
XLogP1.48
TPSA87.19 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500299.37
LogP ≤ 51.48
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

1-N-(4-phenylbutan-2-yl)piperidine-1,4-dicarboxamide
CID 51074335
1-[(2S)-2-amino-4-phenylbutanoyl]piperidine-4-carboxylic acid
CID 104984119
1-(2-amino-2-phenylacetyl)piperidine-4-carboxamide
CID 24695590
2-benzyl-3-[4-(methoxymethyl)piperidin-1-yl]-3-oxopropanenitrile
CID 63979587
(3R)-1-[(2S)-1-(4-benzylpiperidin-1-yl)-1-oxopropan-2-yl]pyrrolidine-3-carboxamide
CID 100840635
1-[1-(3-phenylpropanoyl)azetidin-3-yl]piperidine-4-carboxamide
CID 121153798
2-benzyl-3-(3-methoxypyrrolidin-1-yl)-3-oxopropanenitrile
CID 103533299
1-(2-cyanopropanoyl)piperidine-4-carboxamide
CID 55207643
1-(2-cyano-2-phenylethyl)piperidine-4-carboxamide
CID 64535939
1-[(2S)-1-oxo-1-(2-phenylethylamino)propan-2-yl]piperidine-4-carboxamide
CID 9443521
benzyl (3R)-3-carbamoylpyrrolidine-1-carboxylate
CID 27281872
1-[(3R)-1-(3-phenylpropylsulfonyl)piperidine-3-carbonyl]piperidine-4-carboxamide
CID 92675959

Frequently Asked Questions

What is the IUPAC name of 1-[(2R)-2-cyano-4-phenylbutanoyl]piperidine-4-carboxamide?
The IUPAC name of 1-[(2R)-2-cyano-4-phenylbutanoyl]piperidine-4-carboxamide (CID 124733844) is 1-[(2R)-2-cyano-4-phenylbutanoyl]piperidine-4-carboxamide.
What is the SMILES notation for 1-[(2R)-2-cyano-4-phenylbutanoyl]piperidine-4-carboxamide?
The canonical SMILES for 1-[(2R)-2-cyano-4-phenylbutanoyl]piperidine-4-carboxamide is N#C[C@@H](CCc1ccccc1)C(=O)N1CCC(C(N)=O)CC1.
What is the InChIKey of 1-[(2R)-2-cyano-4-phenylbutanoyl]piperidine-4-carboxamide?
The InChIKey is LPZQFHBCKIXTAX-OAHLLOKOSA-N. The full InChI is InChI=1S/C17H21N3O2/c18-12-15(7-6-13-4-2-1-3-5-13)17(22)20-10-8-14(9-11-20)16(19)21/h1-5,14-15H,6-11H2,(H2,19,21)/t15-/m1/s1.
What are the key properties of 1-[(2R)-2-cyano-4-phenylbutanoyl]piperidine-4-carboxamide?
1-[(2R)-2-cyano-4-phenylbutanoyl]piperidine-4-carboxamide has a molecular weight of 299.37 g/mol, XLogP of 1.48, 5 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[(2R)-2-cyano-4-phenylbutanoyl]piperidine-4-carboxamide is sourced from PubChem (CID 124733844), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).