(2R)-2-amino-3-methyl-1-[3-(1H-pyrazol-5-yl)piperidin-1-yl]butan-1-one

C13H22N4O — CID 79012541

IUPAC(2R)-2-amino-3-methyl-1-[3-(1H-pyrazol-5-yl)piperidin-1-yl]butan-1-one
SMILESCC(C)[C@@H](N)C(=O)N1CCCC(c2ccn[nH]2)C1
InChIInChI=1S/C13H22N4O/c1-9(2)12(14)13(18)17-7-3-4-10(8-17)11-5-6-15-16-11/h5-6,9-10,12H,3-4,7-8,14H2,1-2H3,(H,15,16)/t10?,12-/m1/s1
InChIKeyRABBZDCCBVGDIN-TVKKRMFBSA-N
MW250.35 g/mol
LogP1.10
Rot. Bonds3

About (2R)-2-amino-3-methyl-1-[3-(1H-pyrazol-5-yl)piperidin-1-yl]butan-1-one

(2R)-2-amino-3-methyl-1-[3-(1H-pyrazol-5-yl)piperidin-1-yl]butan-1-one (PubChem CID 79012541) has the molecular formula C13H22N4O and a molecular weight of 250.35 g/mol. Its IUPAC name is (2R)-2-amino-3-methyl-1-[3-(1H-pyrazol-5-yl)piperidin-1-yl]butan-1-one.

Molecular Properties

Compound Name(2R)-2-amino-3-methyl-1-[3-(1H-pyrazol-5-yl)piperidin-1-yl]butan-1-one
PubChem CID79012541
Molecular FormulaC13H22N4O
Molecular Weight250.35 g/mol
Exact Mass250.18
IUPAC Name(2R)-2-amino-3-methyl-1-[3-(1H-pyrazol-5-yl)piperidin-1-yl]butan-1-one
SMILESCC(C)[C@@H](N)C(=O)N1CCCC(c2ccn[nH]2)C1
InChIInChI=1S/C13H22N4O/c1-9(2)12(14)13(18)17-7-3-4-10(8-17)11-5-6-15-16-11/h5-6,9-10,12H,3-4,7-8,14H2,1-2H3,(H,15,16)/t10?,12-/m1/s1
InChIKeyRABBZDCCBVGDIN-TVKKRMFBSA-N
XLogP1.10
TPSA75.01 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500250.35
LogP ≤ 51.10
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

2-methyl-3-oxo-3-[3-(1H-pyrazol-5-yl)piperidin-1-yl]propanoic acid
CID 114897652
6-amino-2-methyl-1-[3-(1H-pyrazol-5-yl)piperidin-1-yl]heptan-1-one
CID 65292377
2,2-difluoro-1-[3-(1H-pyrazol-5-yl)piperidin-1-yl]ethanone
CID 103514888
1-[3-(1H-pyrazol-5-yl)piperidin-1-yl]ethanone
CID 62867071
2-(aminomethyl)-1-[3-(1H-pyrazol-5-yl)piperidin-1-yl]butan-1-one
CID 65227203
3-(propan-2-ylamino)-1-[3-(1H-pyrazol-5-yl)piperidin-1-yl]propan-1-one
CID 54873257
cyclopropyl-[3-(1H-pyrazol-5-yl)piperidin-1-yl]methanone
CID 62866717
cyclopent-3-en-1-yl-[(3S)-3-(1H-pyrazol-5-yl)piperidin-1-yl]methanone
CID 95775037
(2-aminocyclohexyl)-[3-(1H-pyrazol-5-yl)piperidin-1-yl]methanone
CID 64824388
(4,4-difluorocyclohexyl)-[3-(1H-pyrazol-5-yl)piperidin-1-yl]methanone
CID 110271226
2-(1-propan-2-ylpyrazol-3-yl)-1-[(3R)-3-(1H-pyrazol-5-yl)piperidin-1-yl]ethanone
CID 95780445
(2-methylpyrazol-3-yl)-[3-(1H-pyrazol-5-yl)piperidin-1-yl]methanone
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Frequently Asked Questions

What is the IUPAC name of (2R)-2-amino-3-methyl-1-[3-(1H-pyrazol-5-yl)piperidin-1-yl]butan-1-one?
The IUPAC name of (2R)-2-amino-3-methyl-1-[3-(1H-pyrazol-5-yl)piperidin-1-yl]butan-1-one (CID 79012541) is (2R)-2-amino-3-methyl-1-[3-(1H-pyrazol-5-yl)piperidin-1-yl]butan-1-one.
What is the SMILES notation for (2R)-2-amino-3-methyl-1-[3-(1H-pyrazol-5-yl)piperidin-1-yl]butan-1-one?
The canonical SMILES for (2R)-2-amino-3-methyl-1-[3-(1H-pyrazol-5-yl)piperidin-1-yl]butan-1-one is CC(C)[C@@H](N)C(=O)N1CCCC(c2ccn[nH]2)C1.
What is the InChIKey of (2R)-2-amino-3-methyl-1-[3-(1H-pyrazol-5-yl)piperidin-1-yl]butan-1-one?
The InChIKey is RABBZDCCBVGDIN-TVKKRMFBSA-N. The full InChI is InChI=1S/C13H22N4O/c1-9(2)12(14)13(18)17-7-3-4-10(8-17)11-5-6-15-16-11/h5-6,9-10,12H,3-4,7-8,14H2,1-2H3,(H,15,16)/t10?,12-/m1/s1.
What are the key properties of (2R)-2-amino-3-methyl-1-[3-(1H-pyrazol-5-yl)piperidin-1-yl]butan-1-one?
(2R)-2-amino-3-methyl-1-[3-(1H-pyrazol-5-yl)piperidin-1-yl]butan-1-one has a molecular weight of 250.35 g/mol, XLogP of 1.10, 3 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (2R)-2-amino-3-methyl-1-[3-(1H-pyrazol-5-yl)piperidin-1-yl]butan-1-one is sourced from PubChem (CID 79012541), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).