2-cyano-N-(2-methyl-2-piperidin-4-ylpropyl)acetamide

C12H21N3O — CID 165439509

IUPAC2-cyano-N-(2-methyl-2-piperidin-4-ylpropyl)acetamide
SMILESCC(C)(CNC(=O)CC#N)C1CCNCC1
InChIInChI=1S/C12H21N3O/c1-12(2,9-15-11(16)3-6-13)10-4-7-14-8-5-10/h10,14H,3-5,7-9H2,1-2H3,(H,15,16)
InChIKeyPMKPYWICUNRMMF-UHFFFAOYSA-N
MW223.32 g/mol
LogP1.04
Rot. Bonds4

About 2-cyano-N-(2-methyl-2-piperidin-4-ylpropyl)acetamide

2-cyano-N-(2-methyl-2-piperidin-4-ylpropyl)acetamide (PubChem CID 165439509) has the molecular formula C12H21N3O and a molecular weight of 223.32 g/mol. Its IUPAC name is 2-cyano-N-(2-methyl-2-piperidin-4-ylpropyl)acetamide.

Molecular Properties

Compound Name2-cyano-N-(2-methyl-2-piperidin-4-ylpropyl)acetamide
PubChem CID165439509
Molecular FormulaC12H21N3O
Molecular Weight223.32 g/mol
Exact Mass223.17
IUPAC Name2-cyano-N-(2-methyl-2-piperidin-4-ylpropyl)acetamide
SMILESCC(C)(CNC(=O)CC#N)C1CCNCC1
InChIInChI=1S/C12H21N3O/c1-12(2,9-15-11(16)3-6-13)10-4-7-14-8-5-10/h10,14H,3-5,7-9H2,1-2H3,(H,15,16)
InChIKeyPMKPYWICUNRMMF-UHFFFAOYSA-N
XLogP1.04
TPSA64.92 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500223.32
LogP ≤ 51.04
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

2-cyano-N-[2-methyl-2-(1-methylpiperidin-4-yl)propyl]acetamide
CID 115173463
3-cyano-N-(2-cyclohexyl-2-methylpropyl)propanamide
CID 115174087
N-(2-cyclobutyl-2-methylpropyl)-2-sulfanylacetamide
CID 115167608
N-(2-cyclopentyl-2-methylpropyl)-3-hydroxypropanamide
CID 115139545
2-cyano-N-[(3S)-2,2,3,4-tetramethylpentyl]acetamide
CID 118600663
3-amino-N-(2-cyclopentyl-2-methylpropyl)propanamide
CID 115153176
N-(2-cyclobutyl-2-methylpropyl)-2-morpholin-2-ylacetamide
CID 115178244
N-[2-methyl-2-(oxan-4-yl)propyl]pyrrolidine-3-carboxamide
CID 115159666
1-cyano-N-(2-cyclobutyl-2-methylpropyl)cyclopropane-1-carboxamide
CID 115181795
4-[(2-cyclopentyl-2-methylpropyl)amino]-2,2-dimethyl-4-oxobutanoic acid
CID 115165302
3-amino-N-(2-cyclopentyl-2-methylpropyl)butanamide
CID 115154472
3-cyano-N-[2-methyl-2-(1-methylpiperidin-3-yl)propyl]propanamide
CID 115174091

Frequently Asked Questions

What is the IUPAC name of 2-cyano-N-(2-methyl-2-piperidin-4-ylpropyl)acetamide?
The IUPAC name of 2-cyano-N-(2-methyl-2-piperidin-4-ylpropyl)acetamide (CID 165439509) is 2-cyano-N-(2-methyl-2-piperidin-4-ylpropyl)acetamide.
What is the SMILES notation for 2-cyano-N-(2-methyl-2-piperidin-4-ylpropyl)acetamide?
The canonical SMILES for 2-cyano-N-(2-methyl-2-piperidin-4-ylpropyl)acetamide is CC(C)(CNC(=O)CC#N)C1CCNCC1.
What is the InChIKey of 2-cyano-N-(2-methyl-2-piperidin-4-ylpropyl)acetamide?
The InChIKey is PMKPYWICUNRMMF-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H21N3O/c1-12(2,9-15-11(16)3-6-13)10-4-7-14-8-5-10/h10,14H,3-5,7-9H2,1-2H3,(H,15,16).
What are the key properties of 2-cyano-N-(2-methyl-2-piperidin-4-ylpropyl)acetamide?
2-cyano-N-(2-methyl-2-piperidin-4-ylpropyl)acetamide has a molecular weight of 223.32 g/mol, XLogP of 1.04, 4 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-cyano-N-(2-methyl-2-piperidin-4-ylpropyl)acetamide is sourced from PubChem (CID 165439509), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).