N-(3-cyanophenyl)-4-(2-methylpiperidin-1-yl)butanamide

C17H23N3O — CID 43187511

IUPACN-(3-cyanophenyl)-4-(2-methylpiperidin-1-yl)butanamide
SMILESCC1CCCCN1CCCC(=O)Nc1cccc(C#N)c1
InChIInChI=1S/C17H23N3O/c1-14-6-2-3-10-20(14)11-5-9-17(21)19-16-8-4-7-15(12-16)13-18/h4,7-8,12,14H,2-3,5-6,9-11H2,1H3,(H,19,21)
InChIKeyKVCZUCPBRMLYAT-UHFFFAOYSA-N
MW285.39 g/mol
LogP3.15
Rot. Bonds5

About N-(3-cyanophenyl)-4-(2-methylpiperidin-1-yl)butanamide

N-(3-cyanophenyl)-4-(2-methylpiperidin-1-yl)butanamide (PubChem CID 43187511) has the molecular formula C17H23N3O and a molecular weight of 285.39 g/mol. Its IUPAC name is N-(3-cyanophenyl)-4-(2-methylpiperidin-1-yl)butanamide.

Molecular Properties

Compound NameN-(3-cyanophenyl)-4-(2-methylpiperidin-1-yl)butanamide
PubChem CID43187511
Molecular FormulaC17H23N3O
Molecular Weight285.39 g/mol
Exact Mass285.18
IUPAC NameN-(3-cyanophenyl)-4-(2-methylpiperidin-1-yl)butanamide
SMILESCC1CCCCN1CCCC(=O)Nc1cccc(C#N)c1
InChIInChI=1S/C17H23N3O/c1-14-6-2-3-10-20(14)11-5-9-17(21)19-16-8-4-7-15(12-16)13-18/h4,7-8,12,14H,2-3,5-6,9-11H2,1H3,(H,19,21)
InChIKeyKVCZUCPBRMLYAT-UHFFFAOYSA-N
XLogP3.15
TPSA56.13 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500285.39
LogP ≤ 53.15
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

N-(3-aminophenyl)-4-(2-methylpyrrolidin-1-yl)butanamide
CID 54881953
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CID 16778633
N-(4-cyanophenyl)-3-(2-methylpyrrolidin-1-yl)propanamide
CID 54882625
N-(3-cyanophenyl)-2-(1-methylpiperidin-2-yl)acetamide
CID 110864817
N-(3-cyanophenyl)-2-[2-(hydroxymethyl)piperidin-1-yl]acetamide
CID 60684715
N-(3-cyanophenyl)-3-[2-(5-methylthiophen-2-yl)pyrrolidin-1-yl]propanamide
CID 86953269
N-(3-cyanophenyl)-3-(2,3-dimethylthiomorpholin-4-yl)propanamide
CID 115666843
N-(3-cyanophenyl)-3-(3,5-dimethylpiperidin-1-yl)propanamide
CID 43187524
N-(3-cyanophenyl)-3-(4-methoxypiperidin-1-yl)propanamide
CID 43243967
N-(3-cyanophenyl)octanamide
CID 4958584
N-(3-cyanophenyl)-2-[(2S)-2-(1-methylpyrrol-2-yl)pyrrolidin-1-yl]acetamide
CID 8972880
N-(3-cyanophenyl)-3-(4-methyl-1,4-diazepan-1-yl)propanamide
CID 28745017

Frequently Asked Questions

What is the IUPAC name of N-(3-cyanophenyl)-4-(2-methylpiperidin-1-yl)butanamide?
The IUPAC name of N-(3-cyanophenyl)-4-(2-methylpiperidin-1-yl)butanamide (CID 43187511) is N-(3-cyanophenyl)-4-(2-methylpiperidin-1-yl)butanamide.
What is the SMILES notation for N-(3-cyanophenyl)-4-(2-methylpiperidin-1-yl)butanamide?
The canonical SMILES for N-(3-cyanophenyl)-4-(2-methylpiperidin-1-yl)butanamide is CC1CCCCN1CCCC(=O)Nc1cccc(C#N)c1.
What is the InChIKey of N-(3-cyanophenyl)-4-(2-methylpiperidin-1-yl)butanamide?
The InChIKey is KVCZUCPBRMLYAT-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H23N3O/c1-14-6-2-3-10-20(14)11-5-9-17(21)19-16-8-4-7-15(12-16)13-18/h4,7-8,12,14H,2-3,5-6,9-11H2,1H3,(H,19,21).
What are the key properties of N-(3-cyanophenyl)-4-(2-methylpiperidin-1-yl)butanamide?
N-(3-cyanophenyl)-4-(2-methylpiperidin-1-yl)butanamide has a molecular weight of 285.39 g/mol, XLogP of 3.15, 5 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-(3-cyanophenyl)-4-(2-methylpiperidin-1-yl)butanamide is sourced from PubChem (CID 43187511), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).