N-(3-cyanophenyl)-2-(3,5-dimethylpiperidin-1-yl)propanamide

C17H23N3O — CID 18083490

IUPACN-(3-cyanophenyl)-2-(3,5-dimethylpiperidin-1-yl)propanamide
SMILESCC1CC(C)CN(C(C)C(=O)Nc2cccc(C#N)c2)C1
InChIInChI=1S/C17H23N3O/c1-12-7-13(2)11-20(10-12)14(3)17(21)19-16-6-4-5-15(8-16)9-18/h4-6,8,12-14H,7,10-11H2,1-3H3,(H,19,21)
InChIKeyMGWYJTDIXSHIIR-UHFFFAOYSA-N
MW285.39 g/mol
LogP2.86
Rot. Bonds3

About N-(3-cyanophenyl)-2-(3,5-dimethylpiperidin-1-yl)propanamide

N-(3-cyanophenyl)-2-(3,5-dimethylpiperidin-1-yl)propanamide (PubChem CID 18083490) has the molecular formula C17H23N3O and a molecular weight of 285.39 g/mol. Its IUPAC name is N-(3-cyanophenyl)-2-(3,5-dimethylpiperidin-1-yl)propanamide.

Molecular Properties

Compound NameN-(3-cyanophenyl)-2-(3,5-dimethylpiperidin-1-yl)propanamide
PubChem CID18083490
Molecular FormulaC17H23N3O
Molecular Weight285.39 g/mol
Exact Mass285.18
IUPAC NameN-(3-cyanophenyl)-2-(3,5-dimethylpiperidin-1-yl)propanamide
SMILESCC1CC(C)CN(C(C)C(=O)Nc2cccc(C#N)c2)C1
InChIInChI=1S/C17H23N3O/c1-12-7-13(2)11-20(10-12)14(3)17(21)19-16-6-4-5-15(8-16)9-18/h4-6,8,12-14H,7,10-11H2,1-3H3,(H,19,21)
InChIKeyMGWYJTDIXSHIIR-UHFFFAOYSA-N
XLogP2.86
TPSA56.13 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500285.39
LogP ≤ 52.86
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

(2R)-N-(3-cyanophenyl)-2-[(2S,6S)-2,6-dimethylmorpholin-4-yl]propanamide
CID 99850769
(2S)-N-(3-bromophenyl)-2-[(3S,5R)-3,5-dimethylpiperidin-1-yl]propanamide
CID 9430772
(2S)-N-(3-bromophenyl)-2-[(3S,5S)-3,5-dimethylpiperidin-1-yl]propanamide
CID 9430774
N-(3-chlorophenyl)-2-(3,5-dimethylpiperidin-1-yl)propanamide
CID 18083488
(2S)-2-[(4aS,8aS)-3,4,4a,5,6,7,8,8a-octahydro-1H-isoquinolin-2-yl]-N-(3-cyanophenyl)propanamide
CID 11940267
(2R)-2-[(3R,5R)-3,5-dimethylpiperidin-1-yl]-N-phenylpropanamide
CID 100844501
N-(3-cyanophenyl)-2-[2-(hydroxymethyl)morpholin-4-yl]propanamide
CID 79835043
N-(3-cyanophenyl)-2-(4-methyl-3-oxopiperazin-1-yl)propanamide
CID 64680347
(2R)-2-(4-benzylpiperidin-1-yl)-N-(3-cyanophenyl)propanamide
CID 2535656
N-(3-cyanophenyl)-3-(3,5-dimethylpiperidin-1-yl)propanamide
CID 43187524
N-(3-cyanophenyl)-2-[4-(4-methylphenyl)sulfonylpiperazin-1-yl]propanamide
CID 4969649
N-(3-cyanophenyl)-2-[4-[cyclohexyl(methyl)sulfamoyl]piperazin-1-yl]propanamide
CID 55625903

Frequently Asked Questions

What is the IUPAC name of N-(3-cyanophenyl)-2-(3,5-dimethylpiperidin-1-yl)propanamide?
The IUPAC name of N-(3-cyanophenyl)-2-(3,5-dimethylpiperidin-1-yl)propanamide (CID 18083490) is N-(3-cyanophenyl)-2-(3,5-dimethylpiperidin-1-yl)propanamide.
What is the SMILES notation for N-(3-cyanophenyl)-2-(3,5-dimethylpiperidin-1-yl)propanamide?
The canonical SMILES for N-(3-cyanophenyl)-2-(3,5-dimethylpiperidin-1-yl)propanamide is CC1CC(C)CN(C(C)C(=O)Nc2cccc(C#N)c2)C1.
What is the InChIKey of N-(3-cyanophenyl)-2-(3,5-dimethylpiperidin-1-yl)propanamide?
The InChIKey is MGWYJTDIXSHIIR-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H23N3O/c1-12-7-13(2)11-20(10-12)14(3)17(21)19-16-6-4-5-15(8-16)9-18/h4-6,8,12-14H,7,10-11H2,1-3H3,(H,19,21).
What are the key properties of N-(3-cyanophenyl)-2-(3,5-dimethylpiperidin-1-yl)propanamide?
N-(3-cyanophenyl)-2-(3,5-dimethylpiperidin-1-yl)propanamide has a molecular weight of 285.39 g/mol, XLogP of 2.86, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-(3-cyanophenyl)-2-(3,5-dimethylpiperidin-1-yl)propanamide is sourced from PubChem (CID 18083490), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).