1-(2-methylpyrazol-3-yl)-5-piperidin-3-ylhexan-3-one

C15H25N3O — CID 103023956

IUPAC1-(2-methylpyrazol-3-yl)-5-piperidin-3-ylhexan-3-one
SMILESCC(CC(=O)CCc1ccnn1C)C1CCCNC1
InChIInChI=1S/C15H25N3O/c1-12(13-4-3-8-16-11-13)10-15(19)6-5-14-7-9-17-18(14)2/h7,9,12-13,16H,3-6,8,10-11H2,1-2H3
InChIKeyRLBZPPWDVMBSEZ-UHFFFAOYSA-N
MW263.38 g/mol
LogP1.95
Rot. Bonds6

About 1-(2-methylpyrazol-3-yl)-5-piperidin-3-ylhexan-3-one

1-(2-methylpyrazol-3-yl)-5-piperidin-3-ylhexan-3-one (PubChem CID 103023956) has the molecular formula C15H25N3O and a molecular weight of 263.38 g/mol. Its IUPAC name is 1-(2-methylpyrazol-3-yl)-5-piperidin-3-ylhexan-3-one.

Molecular Properties

Compound Name1-(2-methylpyrazol-3-yl)-5-piperidin-3-ylhexan-3-one
PubChem CID103023956
Molecular FormulaC15H25N3O
Molecular Weight263.38 g/mol
Exact Mass263.20
IUPAC Name1-(2-methylpyrazol-3-yl)-5-piperidin-3-ylhexan-3-one
SMILESCC(CC(=O)CCc1ccnn1C)C1CCCNC1
InChIInChI=1S/C15H25N3O/c1-12(13-4-3-8-16-11-13)10-15(19)6-5-14-7-9-17-18(14)2/h7,9,12-13,16H,3-6,8,10-11H2,1-2H3
InChIKeyRLBZPPWDVMBSEZ-UHFFFAOYSA-N
XLogP1.95
TPSA46.92 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500263.38
LogP ≤ 51.95
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Analyze 1-(2-methylpyrazol-3-yl)-5-piperidin-3-ylhexan-3-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-(2-methyltetrazol-5-yl)-4-piperidin-3-ylpentan-2-one
CID 107062305
4-piperidin-3-yl-1-(4-propan-2-ylphenyl)pentan-2-one
CID 116594441
3-piperidin-3-yl-1-pyridin-3-ylbutan-1-one
CID 116594349
1-cyclohexyl-4-(2-methylpyrazol-3-yl)butan-2-one
CID 103024333
N-(2-methyl-3-pyridinyl)-3-piperidin-3-ylbutanamide
CID 81043884
1-(1-ethylpyrazol-4-yl)-4-piperidin-3-ylpentan-2-one
CID 116594471
2-piperidin-3-ylnon-8-en-4-one
CID 116594394
3-piperidin-3-ylbutanoic acid
CID 71691534
(3S)-3-[(3S)-piperidin-3-yl]butanoic acid
CID 95732451
1-(4-methyl-3-pyridinyl)-3-piperidin-3-ylbutan-1-one
CID 116594457
6,8-dimethyl-2-piperidin-3-ylnonan-4-one
CID 114201596
1-cyclohexyl-4-piperidin-3-ylpentan-2-one
CID 116594382

Frequently Asked Questions

What is the IUPAC name of 1-(2-methylpyrazol-3-yl)-5-piperidin-3-ylhexan-3-one?
The IUPAC name of 1-(2-methylpyrazol-3-yl)-5-piperidin-3-ylhexan-3-one (CID 103023956) is 1-(2-methylpyrazol-3-yl)-5-piperidin-3-ylhexan-3-one.
What is the SMILES notation for 1-(2-methylpyrazol-3-yl)-5-piperidin-3-ylhexan-3-one?
The canonical SMILES for 1-(2-methylpyrazol-3-yl)-5-piperidin-3-ylhexan-3-one is CC(CC(=O)CCc1ccnn1C)C1CCCNC1.
What is the InChIKey of 1-(2-methylpyrazol-3-yl)-5-piperidin-3-ylhexan-3-one?
The InChIKey is RLBZPPWDVMBSEZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H25N3O/c1-12(13-4-3-8-16-11-13)10-15(19)6-5-14-7-9-17-18(14)2/h7,9,12-13,16H,3-6,8,10-11H2,1-2H3.
What are the key properties of 1-(2-methylpyrazol-3-yl)-5-piperidin-3-ylhexan-3-one?
1-(2-methylpyrazol-3-yl)-5-piperidin-3-ylhexan-3-one has a molecular weight of 263.38 g/mol, XLogP of 1.95, 6 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(2-methylpyrazol-3-yl)-5-piperidin-3-ylhexan-3-one is sourced from PubChem (CID 103023956), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).