3-amino-1-[3-(4-methylpyrazol-1-yl)piperidin-1-yl]butan-1-one

C13H22N4O — CID 119881484

IUPAC3-amino-1-[3-(4-methylpyrazol-1-yl)piperidin-1-yl]butan-1-one
SMILESCc1cnn(C2CCCN(C(=O)CC(C)N)C2)c1
InChIInChI=1S/C13H22N4O/c1-10-7-15-17(8-10)12-4-3-5-16(9-12)13(18)6-11(2)14/h7-8,11-12H,3-6,9,14H2,1-2H3
InChIKeyYKARRRRQDVXSCY-UHFFFAOYSA-N
MW250.35 g/mol
LogP1.09
Rot. Bonds3

About 3-amino-1-[3-(4-methylpyrazol-1-yl)piperidin-1-yl]butan-1-one

3-amino-1-[3-(4-methylpyrazol-1-yl)piperidin-1-yl]butan-1-one (PubChem CID 119881484) has the molecular formula C13H22N4O and a molecular weight of 250.35 g/mol. Its IUPAC name is 3-amino-1-[3-(4-methylpyrazol-1-yl)piperidin-1-yl]butan-1-one.

Molecular Properties

Compound Name3-amino-1-[3-(4-methylpyrazol-1-yl)piperidin-1-yl]butan-1-one
PubChem CID119881484
Molecular FormulaC13H22N4O
Molecular Weight250.35 g/mol
Exact Mass250.18
IUPAC Name3-amino-1-[3-(4-methylpyrazol-1-yl)piperidin-1-yl]butan-1-one
SMILESCc1cnn(C2CCCN(C(=O)CC(C)N)C2)c1
InChIInChI=1S/C13H22N4O/c1-10-7-15-17(8-10)12-4-3-5-16(9-12)13(18)6-11(2)14/h7-8,11-12H,3-6,9,14H2,1-2H3
InChIKeyYKARRRRQDVXSCY-UHFFFAOYSA-N
XLogP1.09
TPSA64.15 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500250.35
LogP ≤ 51.09
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

4-amino-3-methoxy-1-[3-(4-methylpyrazol-1-yl)piperidin-1-yl]butan-1-one
CID 120596704
3-(4-methylpyrazol-1-yl)-1-[(3R)-3-(4-methylpyrazol-1-yl)piperidin-1-yl]propan-1-one
CID 95289673
2-amino-2-methyl-1-[3-(4-methylpyrazol-1-yl)piperidin-1-yl]propan-1-one
CID 119881436
2-amino-1-[3-(4-methylpyrazol-1-yl)piperidin-1-yl]-3-phenylpropan-1-one
CID 119881442
1-[(3S)-3-(4-methylpyrazol-1-yl)piperidin-1-yl]-3-pyridin-4-ylpropan-1-one
CID 95303199
3-amino-2-methyl-1-[3-(4-methylpyrazol-1-yl)piperidin-1-yl]-3-phenylpropan-1-one;dihydrochloride
CID 119881449
1-[(3S)-3-(4-methylpyrazol-1-yl)piperidin-1-yl]-2-(2-methyl-1,3-thiazol-4-yl)ethanone
CID 95280581
4-[2-[(3S)-3-(4-methylpyrazol-1-yl)piperidin-1-yl]-2-oxoethoxy]benzamide
CID 95383166
3-amino-1-(1,3,4,5,7,8,9,9a-octahydropyrrolo[1,2-a][1,4]diazepin-2-yl)butan-1-one
CID 63151719
2-(3-hydroxyphenyl)-1-[3-(4-methylpyrazol-1-yl)piperidin-1-yl]ethanone
CID 126772873
1-[(3S)-3-(4-methylpyrazol-1-yl)piperidin-1-yl]-3-(1,3,5-trimethylpyrazol-4-yl)propan-1-one
CID 95289375
1-[(3S)-3-(4-methylpyrazol-1-yl)piperidin-1-yl]-3-thiophen-2-ylpropan-1-one
CID 95280551

Frequently Asked Questions

What is the IUPAC name of 3-amino-1-[3-(4-methylpyrazol-1-yl)piperidin-1-yl]butan-1-one?
The IUPAC name of 3-amino-1-[3-(4-methylpyrazol-1-yl)piperidin-1-yl]butan-1-one (CID 119881484) is 3-amino-1-[3-(4-methylpyrazol-1-yl)piperidin-1-yl]butan-1-one.
What is the SMILES notation for 3-amino-1-[3-(4-methylpyrazol-1-yl)piperidin-1-yl]butan-1-one?
The canonical SMILES for 3-amino-1-[3-(4-methylpyrazol-1-yl)piperidin-1-yl]butan-1-one is Cc1cnn(C2CCCN(C(=O)CC(C)N)C2)c1.
What is the InChIKey of 3-amino-1-[3-(4-methylpyrazol-1-yl)piperidin-1-yl]butan-1-one?
The InChIKey is YKARRRRQDVXSCY-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H22N4O/c1-10-7-15-17(8-10)12-4-3-5-16(9-12)13(18)6-11(2)14/h7-8,11-12H,3-6,9,14H2,1-2H3.
What are the key properties of 3-amino-1-[3-(4-methylpyrazol-1-yl)piperidin-1-yl]butan-1-one?
3-amino-1-[3-(4-methylpyrazol-1-yl)piperidin-1-yl]butan-1-one has a molecular weight of 250.35 g/mol, XLogP of 1.09, 3 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-amino-1-[3-(4-methylpyrazol-1-yl)piperidin-1-yl]butan-1-one is sourced from PubChem (CID 119881484), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).