1-[1-(3-cyanopiperidin-1-yl)-2-methyl-1-oxopropan-2-yl]imidazole-2-carboxamide

C14H19N5O2 — CID 173085338

IUPAC1-[1-(3-cyanopiperidin-1-yl)-2-methyl-1-oxopropan-2-yl]imidazole-2-carboxamide
SMILESCC(C)(C(=O)N1CCCC(C#N)C1)n1ccnc1C(N)=O
InChIInChI=1S/C14H19N5O2/c1-14(2,19-7-5-17-12(19)11(16)20)13(21)18-6-3-4-10(8-15)9-18/h5,7,10H,3-4,6,9H2,1-2H3,(H2,16,20)
InChIKeyXOSAWBGHXDZIQN-UHFFFAOYSA-N
MW289.34 g/mol
LogP0.48
Rot. Bonds3

About 1-[1-(3-cyanopiperidin-1-yl)-2-methyl-1-oxopropan-2-yl]imidazole-2-carboxamide

1-[1-(3-cyanopiperidin-1-yl)-2-methyl-1-oxopropan-2-yl]imidazole-2-carboxamide (PubChem CID 173085338) has the molecular formula C14H19N5O2 and a molecular weight of 289.34 g/mol. Its IUPAC name is 1-[1-(3-cyanopiperidin-1-yl)-2-methyl-1-oxopropan-2-yl]imidazole-2-carboxamide.

Molecular Properties

Compound Name1-[1-(3-cyanopiperidin-1-yl)-2-methyl-1-oxopropan-2-yl]imidazole-2-carboxamide
PubChem CID173085338
Molecular FormulaC14H19N5O2
Molecular Weight289.34 g/mol
Exact Mass289.15
IUPAC Name1-[1-(3-cyanopiperidin-1-yl)-2-methyl-1-oxopropan-2-yl]imidazole-2-carboxamide
SMILESCC(C)(C(=O)N1CCCC(C#N)C1)n1ccnc1C(N)=O
InChIInChI=1S/C14H19N5O2/c1-14(2,19-7-5-17-12(19)11(16)20)13(21)18-6-3-4-10(8-15)9-18/h5,7,10H,3-4,6,9H2,1-2H3,(H2,16,20)
InChIKeyXOSAWBGHXDZIQN-UHFFFAOYSA-N
XLogP0.48
TPSA105.01 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500289.34
LogP ≤ 50.48
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Analyze 1-[1-(3-cyanopiperidin-1-yl)-2-methyl-1-oxopropan-2-yl]imidazole-2-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

1-[1-(4-acetyl-1,4-diazepan-1-yl)-2-methyl-1-oxopropan-2-yl]imidazole-2-carboxamide
CID 173085334
4-[(3S)-3-cyanopiperidin-1-yl]-2,2-dimethyl-4-oxobutanamide
CID 71236309
1-acetylpiperidine-3-carbonitrile;ethane
CID 145255147
3-cyano-N-[3-(2-ethylimidazol-1-yl)propyl]piperidine-1-carboxamide
CID 121495545
1-acetylazepane-4-carbonitrile
CID 143511927
1-(3-hydroxy-2-methylbenzoyl)piperidine-3-carbonitrile
CID 82829465
1-(5-fluoropyridine-2-carbonyl)piperidine-3-carbonitrile
CID 104638536
1-(3-hydroxypyridine-4-carbonyl)piperidine-3-carbonitrile
CID 81446161
1-(cyclooctanecarbonyl)piperidine-3-carbonitrile
CID 65018910
propan-2-yl (3R)-3-cyanopiperidine-1-carboxylate
CID 130806171
(3R)-3-cyano-N-[(5-methyl-1H-1,2,4-triazol-3-yl)methyl]piperidine-1-carboxamide
CID 126442687
(3S)-3-cyano-N-[(4,6-dimethylpyrimidin-2-yl)methyl]piperidine-1-carboxamide
CID 126445546

Frequently Asked Questions

What is the IUPAC name of 1-[1-(3-cyanopiperidin-1-yl)-2-methyl-1-oxopropan-2-yl]imidazole-2-carboxamide?
The IUPAC name of 1-[1-(3-cyanopiperidin-1-yl)-2-methyl-1-oxopropan-2-yl]imidazole-2-carboxamide (CID 173085338) is 1-[1-(3-cyanopiperidin-1-yl)-2-methyl-1-oxopropan-2-yl]imidazole-2-carboxamide.
What is the SMILES notation for 1-[1-(3-cyanopiperidin-1-yl)-2-methyl-1-oxopropan-2-yl]imidazole-2-carboxamide?
The canonical SMILES for 1-[1-(3-cyanopiperidin-1-yl)-2-methyl-1-oxopropan-2-yl]imidazole-2-carboxamide is CC(C)(C(=O)N1CCCC(C#N)C1)n1ccnc1C(N)=O.
What is the InChIKey of 1-[1-(3-cyanopiperidin-1-yl)-2-methyl-1-oxopropan-2-yl]imidazole-2-carboxamide?
The InChIKey is XOSAWBGHXDZIQN-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H19N5O2/c1-14(2,19-7-5-17-12(19)11(16)20)13(21)18-6-3-4-10(8-15)9-18/h5,7,10H,3-4,6,9H2,1-2H3,(H2,16,20).
What are the key properties of 1-[1-(3-cyanopiperidin-1-yl)-2-methyl-1-oxopropan-2-yl]imidazole-2-carboxamide?
1-[1-(3-cyanopiperidin-1-yl)-2-methyl-1-oxopropan-2-yl]imidazole-2-carboxamide has a molecular weight of 289.34 g/mol, XLogP of 0.48, 3 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[1-(3-cyanopiperidin-1-yl)-2-methyl-1-oxopropan-2-yl]imidazole-2-carboxamide is sourced from PubChem (CID 173085338), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).