1-[1-[(1-methylpyrazol-4-yl)methyl]piperidin-2-yl]propan-2-one

C13H21N3O — CID 79539306

IUPAC1-[1-[(1-methylpyrazol-4-yl)methyl]piperidin-2-yl]propan-2-one
SMILESCC(=O)CC1CCCCN1Cc1cnn(C)c1
InChIInChI=1S/C13H21N3O/c1-11(17)7-13-5-3-4-6-16(13)10-12-8-14-15(2)9-12/h8-9,13H,3-7,10H2,1-2H3
InChIKeyBAXASUJZOCDBKP-UHFFFAOYSA-N
MW235.33 g/mol
LogP1.75
Rot. Bonds4

About 1-[1-[(1-methylpyrazol-4-yl)methyl]piperidin-2-yl]propan-2-one

1-[1-[(1-methylpyrazol-4-yl)methyl]piperidin-2-yl]propan-2-one (PubChem CID 79539306) has the molecular formula C13H21N3O and a molecular weight of 235.33 g/mol. Its IUPAC name is 1-[1-[(1-methylpyrazol-4-yl)methyl]piperidin-2-yl]propan-2-one.

Molecular Properties

Compound Name1-[1-[(1-methylpyrazol-4-yl)methyl]piperidin-2-yl]propan-2-one
PubChem CID79539306
Molecular FormulaC13H21N3O
Molecular Weight235.33 g/mol
Exact Mass235.17
IUPAC Name1-[1-[(1-methylpyrazol-4-yl)methyl]piperidin-2-yl]propan-2-one
SMILESCC(=O)CC1CCCCN1Cc1cnn(C)c1
InChIInChI=1S/C13H21N3O/c1-11(17)7-13-5-3-4-6-16(13)10-12-8-14-15(2)9-12/h8-9,13H,3-7,10H2,1-2H3
InChIKeyBAXASUJZOCDBKP-UHFFFAOYSA-N
XLogP1.75
TPSA38.13 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500235.33
LogP ≤ 51.75
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

Analyze 1-[1-[(1-methylpyrazol-4-yl)methyl]piperidin-2-yl]propan-2-one 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-methylpyrazol-4-yl)methyl]piperidin-2-yl]methanol
CID 60685295
1-[1-[(1-methyltriazol-4-yl)methyl]piperidin-2-yl]propan-2-one
CID 107043029
1-[1-(pyridin-3-ylmethyl)azepan-2-yl]propan-2-one
CID 79560623
(2S)-1-[(1-methylpyrazol-4-yl)methyl]-2-(2-phenylethyl)piperidine
CID 95876965
1-[1-(pyrimidin-2-ylmethyl)piperidin-2-yl]propan-2-one
CID 79539105
1-[2-[1-[(1-methylpyrazol-4-yl)methyl]pyrrolidin-2-yl]pyrrolidin-1-yl]ethanone
CID 86768380
1-[1-[(3,4-dimethylphenyl)methyl]azepan-2-yl]propan-2-one
CID 79560534
1-[1-[(3-cyclopropylimidazol-4-yl)methyl]azepan-2-yl]propan-2-one
CID 79559770
1-[1-[(3-ethylimidazol-4-yl)methyl]piperidin-2-yl]propan-2-one
CID 79537003
(1S)-1-(furan-2-yl)-2-[(2R)-1-[(1-methylpyrazol-4-yl)methyl]azepan-2-yl]ethanol
CID 97224996
1-[1-(2-fluoroethyl)piperidin-2-yl]propan-2-one
CID 80695193
1-[1-[(3,4-dimethylphenyl)methyl]pyrrolidin-2-yl]propan-2-one
CID 79546159

Frequently Asked Questions

What is the IUPAC name of 1-[1-[(1-methylpyrazol-4-yl)methyl]piperidin-2-yl]propan-2-one?
The IUPAC name of 1-[1-[(1-methylpyrazol-4-yl)methyl]piperidin-2-yl]propan-2-one (CID 79539306) is 1-[1-[(1-methylpyrazol-4-yl)methyl]piperidin-2-yl]propan-2-one.
What is the SMILES notation for 1-[1-[(1-methylpyrazol-4-yl)methyl]piperidin-2-yl]propan-2-one?
The canonical SMILES for 1-[1-[(1-methylpyrazol-4-yl)methyl]piperidin-2-yl]propan-2-one is CC(=O)CC1CCCCN1Cc1cnn(C)c1.
What is the InChIKey of 1-[1-[(1-methylpyrazol-4-yl)methyl]piperidin-2-yl]propan-2-one?
The InChIKey is BAXASUJZOCDBKP-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H21N3O/c1-11(17)7-13-5-3-4-6-16(13)10-12-8-14-15(2)9-12/h8-9,13H,3-7,10H2,1-2H3.
What are the key properties of 1-[1-[(1-methylpyrazol-4-yl)methyl]piperidin-2-yl]propan-2-one?
1-[1-[(1-methylpyrazol-4-yl)methyl]piperidin-2-yl]propan-2-one has a molecular weight of 235.33 g/mol, XLogP of 1.75, 4 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[1-[(1-methylpyrazol-4-yl)methyl]piperidin-2-yl]propan-2-one is sourced from PubChem (CID 79539306), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).