N-[4-(cyanomethyl)phenyl]-2-[(3R,5R)-3,5-dimethylpiperidin-1-yl]acetamide

C17H23N3O — CID 9034213

IUPACN-[4-(cyanomethyl)phenyl]-2-[(3R,5R)-3,5-dimethylpiperidin-1-yl]acetamide
SMILESC[C@@H]1C[C@@H](C)CN(CC(=O)Nc2ccc(CC#N)cc2)C1
InChIInChI=1S/C17H23N3O/c1-13-9-14(2)11-20(10-13)12-17(21)19-16-5-3-15(4-6-16)7-8-18/h3-6,13-14H,7,9-12H2,1-2H3,(H,19,21)/t13-,14-/m1/s1
InChIKeyLPXVLXFDIYCGND-ZIAGYGMSSA-N
MW285.39 g/mol
LogP2.67
Rot. Bonds4

About N-[4-(cyanomethyl)phenyl]-2-[(3R,5R)-3,5-dimethylpiperidin-1-yl]acetamide

N-[4-(cyanomethyl)phenyl]-2-[(3R,5R)-3,5-dimethylpiperidin-1-yl]acetamide (PubChem CID 9034213) has the molecular formula C17H23N3O and a molecular weight of 285.39 g/mol. Its IUPAC name is N-[4-(cyanomethyl)phenyl]-2-[(3R,5R)-3,5-dimethylpiperidin-1-yl]acetamide.

Molecular Properties

Compound NameN-[4-(cyanomethyl)phenyl]-2-[(3R,5R)-3,5-dimethylpiperidin-1-yl]acetamide
PubChem CID9034213
Molecular FormulaC17H23N3O
Molecular Weight285.39 g/mol
Exact Mass285.18
IUPAC NameN-[4-(cyanomethyl)phenyl]-2-[(3R,5R)-3,5-dimethylpiperidin-1-yl]acetamide
SMILESC[C@@H]1C[C@@H](C)CN(CC(=O)Nc2ccc(CC#N)cc2)C1
InChIInChI=1S/C17H23N3O/c1-13-9-14(2)11-20(10-13)12-17(21)19-16-5-3-15(4-6-16)7-8-18/h3-6,13-14H,7,9-12H2,1-2H3,(H,19,21)/t13-,14-/m1/s1
InChIKeyLPXVLXFDIYCGND-ZIAGYGMSSA-N
XLogP2.67
TPSA56.13 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500285.39
LogP ≤ 52.67
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

N-[4-(cyanomethyl)phenyl]-2-[(3S,4R)-3,4-dihydroxypyrrolidin-1-yl]acetamide
CID 79410718
N-[4-(cyanomethyl)phenyl]-2-(3-methylpiperazin-1-yl)acetamide
CID 65449601
N-[4-(cyanomethyl)phenyl]-2-piperidin-1-ylacetamide
CID 9032808
2-[(3S,5S)-3,5-dimethylpiperidin-1-yl]-N-(4-nitrophenyl)acetamide
CID 8930781
4-[[2-[(3R,5R)-3,5-dimethylpiperidin-1-yl]acetyl]amino]-N-methylbenzamide
CID 8540814
N-[4-(cyanomethyl)phenyl]-2-[4-(hydroxymethyl)piperidin-1-yl]acetamide
CID 62020265
N-[4-(cyanomethyl)phenyl]-2-(3,4-dihydro-1H-isoquinolin-2-yl)acetamide
CID 9031849
2-(3,5-dimethylpiperidin-1-yl)-N-[4-(4-ethylpiperazin-1-yl)phenyl]acetamide
CID 17401562
N-[4-(cyanomethyl)phenyl]-2-[(2S)-2-methylpiperazin-1-yl]acetamide
CID 82755602
N-[4-[[(3R,5S)-3,5-dimethylpiperidin-1-yl]methyl]phenyl]acetamide
CID 26458271
N-(2-cyanophenyl)-2-[(3S,5S)-3,5-dimethylpiperidin-1-yl]acetamide
CID 8930267
2-(3-amino-5-methylpiperidin-1-yl)-N-(4-chlorophenyl)acetamide
CID 79993547

Frequently Asked Questions

What is the IUPAC name of N-[4-(cyanomethyl)phenyl]-2-[(3R,5R)-3,5-dimethylpiperidin-1-yl]acetamide?
The IUPAC name of N-[4-(cyanomethyl)phenyl]-2-[(3R,5R)-3,5-dimethylpiperidin-1-yl]acetamide (CID 9034213) is N-[4-(cyanomethyl)phenyl]-2-[(3R,5R)-3,5-dimethylpiperidin-1-yl]acetamide.
What is the SMILES notation for N-[4-(cyanomethyl)phenyl]-2-[(3R,5R)-3,5-dimethylpiperidin-1-yl]acetamide?
The canonical SMILES for N-[4-(cyanomethyl)phenyl]-2-[(3R,5R)-3,5-dimethylpiperidin-1-yl]acetamide is C[C@@H]1C[C@@H](C)CN(CC(=O)Nc2ccc(CC#N)cc2)C1.
What is the InChIKey of N-[4-(cyanomethyl)phenyl]-2-[(3R,5R)-3,5-dimethylpiperidin-1-yl]acetamide?
The InChIKey is LPXVLXFDIYCGND-ZIAGYGMSSA-N. The full InChI is InChI=1S/C17H23N3O/c1-13-9-14(2)11-20(10-13)12-17(21)19-16-5-3-15(4-6-16)7-8-18/h3-6,13-14H,7,9-12H2,1-2H3,(H,19,21)/t13-,14-/m1/s1.
What are the key properties of N-[4-(cyanomethyl)phenyl]-2-[(3R,5R)-3,5-dimethylpiperidin-1-yl]acetamide?
N-[4-(cyanomethyl)phenyl]-2-[(3R,5R)-3,5-dimethylpiperidin-1-yl]acetamide has a molecular weight of 285.39 g/mol, XLogP of 2.67, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[4-(cyanomethyl)phenyl]-2-[(3R,5R)-3,5-dimethylpiperidin-1-yl]acetamide is sourced from PubChem (CID 9034213), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).