1-[1-(1-aminopiperidin-4-yl)-5-methylpyrazol-4-yl]butan-1-one

C13H22N4O — CID 90105536

IUPAC1-[1-(1-aminopiperidin-4-yl)-5-methylpyrazol-4-yl]butan-1-one
SMILESCCCC(=O)c1cnn(C2CCN(N)CC2)c1C
InChIInChI=1S/C13H22N4O/c1-3-4-13(18)12-9-15-17(10(12)2)11-5-7-16(14)8-6-11/h9,11H,3-8,14H2,1-2H3
InChIKeyWQDKFXJTFUNGMR-UHFFFAOYSA-N
MW250.35 g/mol
LogP1.68
Rot. Bonds4

About 1-[1-(1-aminopiperidin-4-yl)-5-methylpyrazol-4-yl]butan-1-one

1-[1-(1-aminopiperidin-4-yl)-5-methylpyrazol-4-yl]butan-1-one (PubChem CID 90105536) has the molecular formula C13H22N4O and a molecular weight of 250.35 g/mol. Its IUPAC name is 1-[1-(1-aminopiperidin-4-yl)-5-methylpyrazol-4-yl]butan-1-one.

Molecular Properties

Compound Name1-[1-(1-aminopiperidin-4-yl)-5-methylpyrazol-4-yl]butan-1-one
PubChem CID90105536
Molecular FormulaC13H22N4O
Molecular Weight250.35 g/mol
Exact Mass250.18
IUPAC Name1-[1-(1-aminopiperidin-4-yl)-5-methylpyrazol-4-yl]butan-1-one
SMILESCCCC(=O)c1cnn(C2CCN(N)CC2)c1C
InChIInChI=1S/C13H22N4O/c1-3-4-13(18)12-9-15-17(10(12)2)11-5-7-16(14)8-6-11/h9,11H,3-8,14H2,1-2H3
InChIKeyWQDKFXJTFUNGMR-UHFFFAOYSA-N
XLogP1.68
TPSA64.15 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500250.35
LogP ≤ 51.68
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'hydrazine', 'substructure': 'N/A'}

Analyze 1-[1-(1-aminopiperidin-4-yl)-5-methylpyrazol-4-yl]butan-1-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-Methyl-1,5,6,7-tetrahydro-4H-indazol-4-one
CID 2765796
1-(1,5-Dimethyl-1H-pyrazol-4-yl)ethanone
CID 7019427
1-(4,5,6,7-Tetrahydropyrazolo[1,5-a]pyridin-3-yl)ethanone
CID 14435009
1-[1-(4-Aminocyclohexyl)-5-methylpyrazol-4-yl]butan-1-one
CID 90105500
1-(1,5-dimethyl-1H-pyrazol-4-yl)-4,4,4-trifluorobutane-1,3-dione
CID 17024719
1-(1,5-dimethyl-1H-pyrazol-4-yl)-4,4-difluorobutane-1,3-dione
CID 17024805
1-(propan-2-yl)-4,5,6,7-tetrahydro-1H-indazol-4-one
CID 19371779
1-methyl-1H,4H,5H,6H,7H,8H-cyclohepta[c]pyrazol-4-one
CID 20146596
2-Methyl-2,5,6,7-tetrahydro-4H-indazol-4-one
CID 24853638
(1-Tert-butyl-5-ethylpyrazol-4-yl)-[3-(dimethylamino)piperidin-1-yl]methanone
CID 53541073
1-(1-tert-butyl-3-methyl-1H-pyrazol-4-yl)ethan-1-one
CID 45792207
1-methyl-3-[(3R)-piperidin-3-yl]-1H-pyrazole-4-carboxamide
CID 99778581

Frequently Asked Questions

What is the IUPAC name of 1-[1-(1-aminopiperidin-4-yl)-5-methylpyrazol-4-yl]butan-1-one?
The IUPAC name of 1-[1-(1-aminopiperidin-4-yl)-5-methylpyrazol-4-yl]butan-1-one (CID 90105536) is 1-[1-(1-aminopiperidin-4-yl)-5-methylpyrazol-4-yl]butan-1-one.
What is the SMILES notation for 1-[1-(1-aminopiperidin-4-yl)-5-methylpyrazol-4-yl]butan-1-one?
The canonical SMILES for 1-[1-(1-aminopiperidin-4-yl)-5-methylpyrazol-4-yl]butan-1-one is CCCC(=O)c1cnn(C2CCN(N)CC2)c1C.
What is the InChIKey of 1-[1-(1-aminopiperidin-4-yl)-5-methylpyrazol-4-yl]butan-1-one?
The InChIKey is WQDKFXJTFUNGMR-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H22N4O/c1-3-4-13(18)12-9-15-17(10(12)2)11-5-7-16(14)8-6-11/h9,11H,3-8,14H2,1-2H3.
What are the key properties of 1-[1-(1-aminopiperidin-4-yl)-5-methylpyrazol-4-yl]butan-1-one?
1-[1-(1-aminopiperidin-4-yl)-5-methylpyrazol-4-yl]butan-1-one has a molecular weight of 250.35 g/mol, XLogP of 1.68, 4 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[1-(1-aminopiperidin-4-yl)-5-methylpyrazol-4-yl]butan-1-one is sourced from PubChem (CID 90105536), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).