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

C17H23N3O — CID 43187524

IUPACN-(3-cyanophenyl)-3-(3,5-dimethylpiperidin-1-yl)propanamide
SMILESCC1CC(C)CN(CCC(=O)Nc2cccc(C#N)c2)C1
InChIInChI=1S/C17H23N3O/c1-13-8-14(2)12-20(11-13)7-6-17(21)19-16-5-3-4-15(9-16)10-18/h3-5,9,13-14H,6-8,11-12H2,1-2H3,(H,19,21)
InChIKeyJTRGEJXXCATPIP-UHFFFAOYSA-N
MW285.39 g/mol
LogP2.86
Rot. Bonds4

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

N-(3-cyanophenyl)-3-(3,5-dimethylpiperidin-1-yl)propanamide (PubChem CID 43187524) has the molecular formula C17H23N3O and a molecular weight of 285.39 g/mol. Its IUPAC name is N-(3-cyanophenyl)-3-(3,5-dimethylpiperidin-1-yl)propanamide.

Molecular Properties

Compound NameN-(3-cyanophenyl)-3-(3,5-dimethylpiperidin-1-yl)propanamide
PubChem CID43187524
Molecular FormulaC17H23N3O
Molecular Weight285.39 g/mol
Exact Mass285.18
IUPAC NameN-(3-cyanophenyl)-3-(3,5-dimethylpiperidin-1-yl)propanamide
SMILESCC1CC(C)CN(CCC(=O)Nc2cccc(C#N)c2)C1
InChIInChI=1S/C17H23N3O/c1-13-8-14(2)12-20(11-13)7-6-17(21)19-16-5-3-4-15(9-16)10-18/h3-5,9,13-14H,6-8,11-12H2,1-2H3,(H,19,21)
InChIKeyJTRGEJXXCATPIP-UHFFFAOYSA-N
XLogP2.86
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 ≤ 52.86
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

2-(3-amino-5-methylpiperidin-1-yl)-N-(3-cyanophenyl)acetamide
CID 79993290
3-(3,5-dimethylpiperidin-1-yl)-N-phenylpropanamide;hydrochloride
CID 126467812
N-(3-cyanophenyl)-3-(2-ethylthiomorpholin-4-yl)propanamide
CID 115666984
N-(3-cyanophenyl)-2-(2,4-dimethylpyrrolidin-1-yl)acetamide
CID 115644362
N-(3-cyanophenyl)-3-(4-methoxypiperidin-1-yl)propanamide
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N-(3-cyanophenyl)-3-(3-propylpyrrolidin-1-yl)propanamide
CID 115667757
N-(3-cyanophenyl)-3-(4-hydroxy-4-methylpiperidin-1-yl)propanamide
CID 80702946
N-(3-cyanophenyl)-3-(4-methyl-1,4-diazepan-1-yl)propanamide
CID 28745017
N-(3-cyanophenyl)-3-(2,5-dimethylpyrrol-1-yl)propanamide
CID 110689054
N-(3-cyanophenyl)-2-(3,5-dimethylpiperidin-1-yl)propanamide
CID 18083490
N-(3-cyanophenyl)-3-(2,3-dimethylthiomorpholin-4-yl)propanamide
CID 115666843
N-(3,5-dimethylphenyl)-3-[(3R,5S)-3,5-dimethylpiperidin-1-yl]propanamide
CID 771548

Frequently Asked Questions

What is the IUPAC name of N-(3-cyanophenyl)-3-(3,5-dimethylpiperidin-1-yl)propanamide?
The IUPAC name of N-(3-cyanophenyl)-3-(3,5-dimethylpiperidin-1-yl)propanamide (CID 43187524) is N-(3-cyanophenyl)-3-(3,5-dimethylpiperidin-1-yl)propanamide.
What is the SMILES notation for N-(3-cyanophenyl)-3-(3,5-dimethylpiperidin-1-yl)propanamide?
The canonical SMILES for N-(3-cyanophenyl)-3-(3,5-dimethylpiperidin-1-yl)propanamide is CC1CC(C)CN(CCC(=O)Nc2cccc(C#N)c2)C1.
What is the InChIKey of N-(3-cyanophenyl)-3-(3,5-dimethylpiperidin-1-yl)propanamide?
The InChIKey is JTRGEJXXCATPIP-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H23N3O/c1-13-8-14(2)12-20(11-13)7-6-17(21)19-16-5-3-4-15(9-16)10-18/h3-5,9,13-14H,6-8,11-12H2,1-2H3,(H,19,21).
What are the key properties of N-(3-cyanophenyl)-3-(3,5-dimethylpiperidin-1-yl)propanamide?
N-(3-cyanophenyl)-3-(3,5-dimethylpiperidin-1-yl)propanamide has a molecular weight of 285.39 g/mol, XLogP of 2.86, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-(3-cyanophenyl)-3-(3,5-dimethylpiperidin-1-yl)propanamide is sourced from PubChem (CID 43187524), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).