N-(2-cyanophenyl)-3-(2-methylpiperidin-1-yl)propanamide

C16H21N3O — CID 43176776

IUPACN-(2-cyanophenyl)-3-(2-methylpiperidin-1-yl)propanamide
SMILESCC1CCCCN1CCC(=O)Nc1ccccc1C#N
InChIInChI=1S/C16H21N3O/c1-13-6-4-5-10-19(13)11-9-16(20)18-15-8-3-2-7-14(15)12-17/h2-3,7-8,13H,4-6,9-11H2,1H3,(H,18,20)
InChIKeyRLOIIKRKIJMXSI-UHFFFAOYSA-N
MW271.36 g/mol
LogP2.76
Rot. Bonds4

About N-(2-cyanophenyl)-3-(2-methylpiperidin-1-yl)propanamide

N-(2-cyanophenyl)-3-(2-methylpiperidin-1-yl)propanamide (PubChem CID 43176776) has the molecular formula C16H21N3O and a molecular weight of 271.36 g/mol. Its IUPAC name is N-(2-cyanophenyl)-3-(2-methylpiperidin-1-yl)propanamide.

Molecular Properties

Compound NameN-(2-cyanophenyl)-3-(2-methylpiperidin-1-yl)propanamide
PubChem CID43176776
Molecular FormulaC16H21N3O
Molecular Weight271.36 g/mol
Exact Mass271.17
IUPAC NameN-(2-cyanophenyl)-3-(2-methylpiperidin-1-yl)propanamide
SMILESCC1CCCCN1CCC(=O)Nc1ccccc1C#N
InChIInChI=1S/C16H21N3O/c1-13-6-4-5-10-19(13)11-9-16(20)18-15-8-3-2-7-14(15)12-17/h2-3,7-8,13H,4-6,9-11H2,1H3,(H,18,20)
InChIKeyRLOIIKRKIJMXSI-UHFFFAOYSA-N
XLogP2.76
TPSA56.13 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500271.36
LogP ≤ 52.76
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

N-(2-aminophenyl)-3-(2-methylpiperidin-1-yl)propanamide
CID 16779613
N-(2-carbamothioylphenyl)-3-(2-methylpiperidin-1-yl)propanamide
CID 43106577
N-(2-cyanophenyl)-2-(2-ethylpiperidin-1-yl)acetamide
CID 43212873
N-(4-cyanophenyl)-3-(2-methylpyrrolidin-1-yl)propanamide
CID 54882625
N-(2-cyanophenyl)-3-(1-methylpiperidin-4-yl)propanamide
CID 110864681
N-(2-cyanophenyl)-2-[2-(hydroxymethyl)azepan-1-yl]acetamide
CID 116634774
N-(2-cyanophenyl)-3-(2-cyanopiperazin-1-yl)propanamide
CID 79094861
N-(5-chloro-2-cyanophenyl)-2-[(2R)-2-methylpiperidin-1-yl]acetamide
CID 2697936
N-(2-cyanophenyl)-3-[3-(methoxymethyl)pyrrolidin-1-yl]propanamide
CID 64598916
N-(2-cyanophenyl)-3-[4-[cyclohexyl(methyl)sulfamoyl]piperazin-1-yl]propanamide
CID 55626339
3-[acetyl(cycloheptyl)amino]-N-(2-cyanophenyl)propanamide
CID 113122793
N-(3-aminophenyl)-3-(2-methylpiperidin-1-yl)propanamide
CID 16778633

Frequently Asked Questions

What is the IUPAC name of N-(2-cyanophenyl)-3-(2-methylpiperidin-1-yl)propanamide?
The IUPAC name of N-(2-cyanophenyl)-3-(2-methylpiperidin-1-yl)propanamide (CID 43176776) is N-(2-cyanophenyl)-3-(2-methylpiperidin-1-yl)propanamide.
What is the SMILES notation for N-(2-cyanophenyl)-3-(2-methylpiperidin-1-yl)propanamide?
The canonical SMILES for N-(2-cyanophenyl)-3-(2-methylpiperidin-1-yl)propanamide is CC1CCCCN1CCC(=O)Nc1ccccc1C#N.
What is the InChIKey of N-(2-cyanophenyl)-3-(2-methylpiperidin-1-yl)propanamide?
The InChIKey is RLOIIKRKIJMXSI-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H21N3O/c1-13-6-4-5-10-19(13)11-9-16(20)18-15-8-3-2-7-14(15)12-17/h2-3,7-8,13H,4-6,9-11H2,1H3,(H,18,20).
What are the key properties of N-(2-cyanophenyl)-3-(2-methylpiperidin-1-yl)propanamide?
N-(2-cyanophenyl)-3-(2-methylpiperidin-1-yl)propanamide has a molecular weight of 271.36 g/mol, XLogP of 2.76, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-(2-cyanophenyl)-3-(2-methylpiperidin-1-yl)propanamide is sourced from PubChem (CID 43176776), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).