N-[(2R)-butan-2-yl]-4-cyano-1-(2-phenylacetyl)piperidine-4-carboxamide

C19H25N3O2 — CID 125499832

IUPACN-[(2R)-butan-2-yl]-4-cyano-1-(2-phenylacetyl)piperidine-4-carboxamide
SMILESCC[C@@H](C)NC(=O)C1(C#N)CCN(C(=O)Cc2ccccc2)CC1
InChIInChI=1S/C19H25N3O2/c1-3-15(2)21-18(24)19(14-20)9-11-22(12-10-19)17(23)13-16-7-5-4-6-8-16/h4-8,15H,3,9-13H2,1-2H3,(H,21,24)/t15-/m1/s1
InChIKeyOQGVUUUHOGCORY-OAHLLOKOSA-N
MW327.43 g/mol
LogP2.28
Rot. Bonds5

About N-[(2R)-butan-2-yl]-4-cyano-1-(2-phenylacetyl)piperidine-4-carboxamide

N-[(2R)-butan-2-yl]-4-cyano-1-(2-phenylacetyl)piperidine-4-carboxamide (PubChem CID 125499832) has the molecular formula C19H25N3O2 and a molecular weight of 327.43 g/mol. Its IUPAC name is N-[(2R)-butan-2-yl]-4-cyano-1-(2-phenylacetyl)piperidine-4-carboxamide.

Molecular Properties

Compound NameN-[(2R)-butan-2-yl]-4-cyano-1-(2-phenylacetyl)piperidine-4-carboxamide
PubChem CID125499832
Molecular FormulaC19H25N3O2
Molecular Weight327.43 g/mol
Exact Mass327.19
IUPAC NameN-[(2R)-butan-2-yl]-4-cyano-1-(2-phenylacetyl)piperidine-4-carboxamide
SMILESCC[C@@H](C)NC(=O)C1(C#N)CCN(C(=O)Cc2ccccc2)CC1
InChIInChI=1S/C19H25N3O2/c1-3-15(2)21-18(24)19(14-20)9-11-22(12-10-19)17(23)13-16-7-5-4-6-8-16/h4-8,15H,3,9-13H2,1-2H3,(H,21,24)/t15-/m1/s1
InChIKeyOQGVUUUHOGCORY-OAHLLOKOSA-N
XLogP2.28
TPSA73.20 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500327.43
LogP ≤ 52.28
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

2-[1-(2-phenylacetyl)-4-propylpiperidin-4-yl]acetonitrile
CID 145395186
N-methyl-1-(2-phenylacetyl)-4-[(4-phenylphenyl)methyl]piperidine-4-carboxamide
CID 155982862
4-N-[(2S)-butan-2-yl]-1-N-[4-chloro-3-(trifluoromethyl)phenyl]-4-cyanopiperidine-1,4-dicarboxamide
CID 125499998
1-cyano-N-[(1R)-1-phenylethyl]cyclopropane-1-carboxamide
CID 99703015
1-cyano-N-pentan-2-ylcyclopentane-1-carboxamide
CID 55025382
1-cyano-N-(1-thiophen-3-ylpropan-2-yl)cyclobutane-1-carboxamide
CID 78994589
4-methyl-1-(2-phenylacetyl)piperidine-4-carboxamide
CID 110097823
1-(azetidin-1-yl)-2-phenylethanone
CID 18670940
3-amino-1-[4-(2-phenylacetyl)piperazin-1-yl]butan-1-one
CID 119708809
1-(2-phenylacetyl)piperidine-4-carbonitrile
CID 39247378
N-[2-(butan-2-ylamino)-2-oxo-1-[1-(2-phenylacetyl)piperidin-4-yl]ethyl]-2-methylbenzamide
CID 42840332
N-[2-(butan-2-ylamino)-2-oxo-1-[1-(2-phenylacetyl)piperidin-4-yl]ethyl]-4-methylbenzamide
CID 42840475

Frequently Asked Questions

What is the IUPAC name of N-[(2R)-butan-2-yl]-4-cyano-1-(2-phenylacetyl)piperidine-4-carboxamide?
The IUPAC name of N-[(2R)-butan-2-yl]-4-cyano-1-(2-phenylacetyl)piperidine-4-carboxamide (CID 125499832) is N-[(2R)-butan-2-yl]-4-cyano-1-(2-phenylacetyl)piperidine-4-carboxamide.
What is the SMILES notation for N-[(2R)-butan-2-yl]-4-cyano-1-(2-phenylacetyl)piperidine-4-carboxamide?
The canonical SMILES for N-[(2R)-butan-2-yl]-4-cyano-1-(2-phenylacetyl)piperidine-4-carboxamide is CC[C@@H](C)NC(=O)C1(C#N)CCN(C(=O)Cc2ccccc2)CC1.
What is the InChIKey of N-[(2R)-butan-2-yl]-4-cyano-1-(2-phenylacetyl)piperidine-4-carboxamide?
The InChIKey is OQGVUUUHOGCORY-OAHLLOKOSA-N. The full InChI is InChI=1S/C19H25N3O2/c1-3-15(2)21-18(24)19(14-20)9-11-22(12-10-19)17(23)13-16-7-5-4-6-8-16/h4-8,15H,3,9-13H2,1-2H3,(H,21,24)/t15-/m1/s1.
What are the key properties of N-[(2R)-butan-2-yl]-4-cyano-1-(2-phenylacetyl)piperidine-4-carboxamide?
N-[(2R)-butan-2-yl]-4-cyano-1-(2-phenylacetyl)piperidine-4-carboxamide has a molecular weight of 327.43 g/mol, XLogP of 2.28, 5 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(2R)-butan-2-yl]-4-cyano-1-(2-phenylacetyl)piperidine-4-carboxamide is sourced from PubChem (CID 125499832), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).