N-(1-cyanopropan-2-yl)-3-methylpiperidine-3-carboxamide

C11H19N3O — CID 63134860

IUPACN-(1-cyanopropan-2-yl)-3-methylpiperidine-3-carboxamide
SMILESCC(CC#N)NC(=O)C1(C)CCCNC1
InChIInChI=1S/C11H19N3O/c1-9(4-6-12)14-10(15)11(2)5-3-7-13-8-11/h9,13H,3-5,7-8H2,1-2H3,(H,14,15)
InChIKeyZJCQZTXHAVFDTB-UHFFFAOYSA-N
MW209.29 g/mol
LogP0.79
Rot. Bonds3

About N-(1-cyanopropan-2-yl)-3-methylpiperidine-3-carboxamide

N-(1-cyanopropan-2-yl)-3-methylpiperidine-3-carboxamide (PubChem CID 63134860) has the molecular formula C11H19N3O and a molecular weight of 209.29 g/mol. Its IUPAC name is N-(1-cyanopropan-2-yl)-3-methylpiperidine-3-carboxamide.

Molecular Properties

Compound NameN-(1-cyanopropan-2-yl)-3-methylpiperidine-3-carboxamide
PubChem CID63134860
Molecular FormulaC11H19N3O
Molecular Weight209.29 g/mol
Exact Mass209.15
IUPAC NameN-(1-cyanopropan-2-yl)-3-methylpiperidine-3-carboxamide
SMILESCC(CC#N)NC(=O)C1(C)CCCNC1
InChIInChI=1S/C11H19N3O/c1-9(4-6-12)14-10(15)11(2)5-3-7-13-8-11/h9,13H,3-5,7-8H2,1-2H3,(H,14,15)
InChIKeyZJCQZTXHAVFDTB-UHFFFAOYSA-N
XLogP0.79
TPSA64.92 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500209.29
LogP ≤ 50.79
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Analyze N-(1-cyanopropan-2-yl)-3-methylpiperidine-3-carboxamide with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

3-methyl-N-(4-methylsulfanylbutan-2-yl)piperidine-3-carboxamide
CID 115747548
3-methyl-N-(1-methylsulfonylpropan-2-yl)piperidine-3-carboxamide;hydrochloride
CID 119945471
N-(3-cyanopropyl)-3-methylpiperidine-3-carboxamide
CID 63133316
3-methyl-N-(1-morpholin-4-ylpropan-2-yl)piperidine-3-carboxamide
CID 63129996
N-(2-hydroxypropyl)-3-methylpiperidine-3-carboxamide
CID 63129926
N-hexan-3-yl-3-methylpiperidine-3-carboxamide
CID 63134940
3-methyl-N-(1-pyrrolidin-1-ylpropan-2-yl)pyrrolidine-3-carboxamide
CID 63142239
N-[(1R)-1-cycloheptylethyl]-3-methylpiperidine-3-carboxamide
CID 81392969
N-(1-imidazol-1-ylpropan-2-yl)-3-methylpiperidine-3-carboxamide;dihydrochloride
CID 119946703
3-methyl-N-(1-methylsulfanylpropan-2-yl)pyrrolidine-3-carboxamide;hydrochloride
CID 119796250
(2R)-4-hydroxy-2-[(3-methylpiperidine-3-carbonyl)amino]butanoic acid
CID 107825163
3-methylpiperidine-3-carbohydrazide
CID 63991806

Frequently Asked Questions

What is the IUPAC name of N-(1-cyanopropan-2-yl)-3-methylpiperidine-3-carboxamide?
The IUPAC name of N-(1-cyanopropan-2-yl)-3-methylpiperidine-3-carboxamide (CID 63134860) is N-(1-cyanopropan-2-yl)-3-methylpiperidine-3-carboxamide.
What is the SMILES notation for N-(1-cyanopropan-2-yl)-3-methylpiperidine-3-carboxamide?
The canonical SMILES for N-(1-cyanopropan-2-yl)-3-methylpiperidine-3-carboxamide is CC(CC#N)NC(=O)C1(C)CCCNC1.
What is the InChIKey of N-(1-cyanopropan-2-yl)-3-methylpiperidine-3-carboxamide?
The InChIKey is ZJCQZTXHAVFDTB-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H19N3O/c1-9(4-6-12)14-10(15)11(2)5-3-7-13-8-11/h9,13H,3-5,7-8H2,1-2H3,(H,14,15).
What are the key properties of N-(1-cyanopropan-2-yl)-3-methylpiperidine-3-carboxamide?
N-(1-cyanopropan-2-yl)-3-methylpiperidine-3-carboxamide has a molecular weight of 209.29 g/mol, XLogP of 0.79, 3 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-(1-cyanopropan-2-yl)-3-methylpiperidine-3-carboxamide is sourced from PubChem (CID 63134860), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).