2-(3-amino-5-methylpiperidin-1-yl)-N-(3-cyanophenyl)acetamide

C15H20N4O — CID 79993290

IUPAC2-(3-amino-5-methylpiperidin-1-yl)-N-(3-cyanophenyl)acetamide
SMILESCC1CC(N)CN(CC(=O)Nc2cccc(C#N)c2)C1
InChIInChI=1S/C15H20N4O/c1-11-5-13(17)9-19(8-11)10-15(20)18-14-4-2-3-12(6-14)7-16/h2-4,6,11,13H,5,8-10,17H2,1H3,(H,18,20)
InChIKeyDKVJXEAHDBMBAE-UHFFFAOYSA-N
MW272.35 g/mol
LogP1.17
Rot. Bonds3

About 2-(3-amino-5-methylpiperidin-1-yl)-N-(3-cyanophenyl)acetamide

2-(3-amino-5-methylpiperidin-1-yl)-N-(3-cyanophenyl)acetamide (PubChem CID 79993290) has the molecular formula C15H20N4O and a molecular weight of 272.35 g/mol. Its IUPAC name is 2-(3-amino-5-methylpiperidin-1-yl)-N-(3-cyanophenyl)acetamide.

Molecular Properties

Compound Name2-(3-amino-5-methylpiperidin-1-yl)-N-(3-cyanophenyl)acetamide
PubChem CID79993290
Molecular FormulaC15H20N4O
Molecular Weight272.35 g/mol
Exact Mass272.16
IUPAC Name2-(3-amino-5-methylpiperidin-1-yl)-N-(3-cyanophenyl)acetamide
SMILESCC1CC(N)CN(CC(=O)Nc2cccc(C#N)c2)C1
InChIInChI=1S/C15H20N4O/c1-11-5-13(17)9-19(8-11)10-15(20)18-14-4-2-3-12(6-14)7-16/h2-4,6,11,13H,5,8-10,17H2,1H3,(H,18,20)
InChIKeyDKVJXEAHDBMBAE-UHFFFAOYSA-N
XLogP1.17
TPSA82.15 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500272.35
LogP ≤ 51.17
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

N-(3-cyanophenyl)-2-(2,4-dimethylpyrrolidin-1-yl)acetamide
CID 115644362
N-(3-cyanophenyl)-3-(3,5-dimethylpiperidin-1-yl)propanamide
CID 43187524
2-[1-[2-(3-cyanoanilino)-2-oxoethyl]azetidin-3-yl]acetic acid
CID 64618327
2-[3-(aminomethyl)pyrrolidin-1-yl]-N-(3-cyanophenyl)acetamide
CID 62062180
N-(3-cyanophenyl)-2-(3-ethylpyrrolidin-1-yl)acetamide
CID 115688555
1-[2-(3-cyanoanilino)-2-oxoethyl]piperidine-3-carboxamide
CID 43176765
2-(3-amino-5-methylpiperidin-1-yl)-N-(4-chlorophenyl)acetamide
CID 79993547
N-(3-cyanophenyl)-2-[3-(dimethylamino)pyrrolidin-1-yl]acetamide
CID 63164005
2-(3,5-dimethylpiperidin-1-yl)-N-(3-methylphenyl)acetamide
CID 22198013
2-(3-amino-5-methylpiperidin-1-yl)-N-(3-cyanothiophen-2-yl)acetamide
CID 79992685
2-[(4aR,8aS)-3,4,4a,5,6,7,8,8a-octahydro-1H-isoquinolin-2-yl]-N-(3-cyanophenyl)acetamide
CID 11940583
N-(3-cyanophenyl)-2-[(3S)-3-hydroxypiperidin-1-yl]acetamide
CID 107226088

Frequently Asked Questions

What is the IUPAC name of 2-(3-amino-5-methylpiperidin-1-yl)-N-(3-cyanophenyl)acetamide?
The IUPAC name of 2-(3-amino-5-methylpiperidin-1-yl)-N-(3-cyanophenyl)acetamide (CID 79993290) is 2-(3-amino-5-methylpiperidin-1-yl)-N-(3-cyanophenyl)acetamide.
What is the SMILES notation for 2-(3-amino-5-methylpiperidin-1-yl)-N-(3-cyanophenyl)acetamide?
The canonical SMILES for 2-(3-amino-5-methylpiperidin-1-yl)-N-(3-cyanophenyl)acetamide is CC1CC(N)CN(CC(=O)Nc2cccc(C#N)c2)C1.
What is the InChIKey of 2-(3-amino-5-methylpiperidin-1-yl)-N-(3-cyanophenyl)acetamide?
The InChIKey is DKVJXEAHDBMBAE-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H20N4O/c1-11-5-13(17)9-19(8-11)10-15(20)18-14-4-2-3-12(6-14)7-16/h2-4,6,11,13H,5,8-10,17H2,1H3,(H,18,20).
What are the key properties of 2-(3-amino-5-methylpiperidin-1-yl)-N-(3-cyanophenyl)acetamide?
2-(3-amino-5-methylpiperidin-1-yl)-N-(3-cyanophenyl)acetamide has a molecular weight of 272.35 g/mol, XLogP of 1.17, 3 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(3-amino-5-methylpiperidin-1-yl)-N-(3-cyanophenyl)acetamide is sourced from PubChem (CID 79993290), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).