2-[(1-methylpyrazol-3-yl)methylamino]-1-piperidin-1-ylethanone

C12H20N4O — CID 78921060

IUPAC2-[(1-methylpyrazol-3-yl)methylamino]-1-piperidin-1-ylethanone
SMILESCn1ccc(CNCC(=O)N2CCCCC2)n1
InChIInChI=1S/C12H20N4O/c1-15-8-5-11(14-15)9-13-10-12(17)16-6-3-2-4-7-16/h5,8,13H,2-4,6-7,9-10H2,1H3
InChIKeyKUAFOWOOXZAZRH-UHFFFAOYSA-N
MW236.32 g/mol
LogP0.52
Rot. Bonds4

About 2-[(1-methylpyrazol-3-yl)methylamino]-1-piperidin-1-ylethanone

2-[(1-methylpyrazol-3-yl)methylamino]-1-piperidin-1-ylethanone (PubChem CID 78921060) has the molecular formula C12H20N4O and a molecular weight of 236.32 g/mol. Its IUPAC name is 2-[(1-methylpyrazol-3-yl)methylamino]-1-piperidin-1-ylethanone.

Molecular Properties

Compound Name2-[(1-methylpyrazol-3-yl)methylamino]-1-piperidin-1-ylethanone
PubChem CID78921060
Molecular FormulaC12H20N4O
Molecular Weight236.32 g/mol
Exact Mass236.16
IUPAC Name2-[(1-methylpyrazol-3-yl)methylamino]-1-piperidin-1-ylethanone
SMILESCn1ccc(CNCC(=O)N2CCCCC2)n1
InChIInChI=1S/C12H20N4O/c1-15-8-5-11(14-15)9-13-10-12(17)16-6-3-2-4-7-16/h5,8,13H,2-4,6-7,9-10H2,1H3
InChIKeyKUAFOWOOXZAZRH-UHFFFAOYSA-N
XLogP0.52
TPSA50.16 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500236.32
LogP ≤ 50.52
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Analyze 2-[(1-methylpyrazol-3-yl)methylamino]-1-piperidin-1-ylethanone 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

N-(2-methylbutan-2-yl)-2-[(1-methylpyrazol-3-yl)methylamino]acetamide
CID 82881591
N-[(1-methylpyrazol-3-yl)methyl]-2-pyrrolidin-1-ylethanamine
CID 78920944
1-piperidin-1-yl-2-(1,3-thiazol-4-ylmethylamino)ethanone
CID 115590354
1-(1-methylpyrazol-3-yl)-3-(2-oxo-2-pyrrolidin-1-ylethyl)urea
CID 60617048
2-[(2-tert-butyl-1,3-thiazol-4-yl)methylamino]-1-piperidin-1-ylethanone
CID 115586605
1-amino-N-[(1-methylpyrazol-3-yl)methyl]cyclobutane-1-carboxamide
CID 82873363
1-piperidin-1-yl-2-(thiadiazol-4-ylmethylamino)ethanone
CID 115587343
2-methyl-3-[(1-methylpyrazol-3-yl)methylamino]propanamide
CID 82881515
2-(1-methylpyrazol-3-yl)-1-(4-propan-2-ylpiperazin-1-yl)ethanone
CID 126752802
1-(azepan-1-yl)-2-[(4-methoxyphenyl)methylamino]ethanone
CID 28575460
methyl 6-[[(2-oxo-2-piperidin-1-ylethyl)amino]methyl]pyrimidine-4-carboxylate
CID 118420996
3-methyl-2-[(1-methylpyrazol-3-yl)methylamino]butanoic acid
CID 82869167

Frequently Asked Questions

What is the IUPAC name of 2-[(1-methylpyrazol-3-yl)methylamino]-1-piperidin-1-ylethanone?
The IUPAC name of 2-[(1-methylpyrazol-3-yl)methylamino]-1-piperidin-1-ylethanone (CID 78921060) is 2-[(1-methylpyrazol-3-yl)methylamino]-1-piperidin-1-ylethanone.
What is the SMILES notation for 2-[(1-methylpyrazol-3-yl)methylamino]-1-piperidin-1-ylethanone?
The canonical SMILES for 2-[(1-methylpyrazol-3-yl)methylamino]-1-piperidin-1-ylethanone is Cn1ccc(CNCC(=O)N2CCCCC2)n1.
What is the InChIKey of 2-[(1-methylpyrazol-3-yl)methylamino]-1-piperidin-1-ylethanone?
The InChIKey is KUAFOWOOXZAZRH-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H20N4O/c1-15-8-5-11(14-15)9-13-10-12(17)16-6-3-2-4-7-16/h5,8,13H,2-4,6-7,9-10H2,1H3.
What are the key properties of 2-[(1-methylpyrazol-3-yl)methylamino]-1-piperidin-1-ylethanone?
2-[(1-methylpyrazol-3-yl)methylamino]-1-piperidin-1-ylethanone has a molecular weight of 236.32 g/mol, XLogP of 0.52, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[(1-methylpyrazol-3-yl)methylamino]-1-piperidin-1-ylethanone is sourced from PubChem (CID 78921060), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).