3-amino-1-[2-(1H-pyrazol-4-yl)piperidin-1-yl]propan-1-one

C11H18N4O — CID 119888402

IUPAC3-amino-1-[2-(1H-pyrazol-4-yl)piperidin-1-yl]propan-1-one
SMILESNCCC(=O)N1CCCCC1c1cn[nH]c1
InChIInChI=1S/C11H18N4O/c12-5-4-11(16)15-6-2-1-3-10(15)9-7-13-14-8-9/h7-8,10H,1-6,12H2,(H,13,14)
InChIKeySRYJKGBDLAKDKN-UHFFFAOYSA-N
MW222.29 g/mol
LogP0.81
Rot. Bonds3

About 3-amino-1-[2-(1H-pyrazol-4-yl)piperidin-1-yl]propan-1-one

3-amino-1-[2-(1H-pyrazol-4-yl)piperidin-1-yl]propan-1-one (PubChem CID 119888402) has the molecular formula C11H18N4O and a molecular weight of 222.29 g/mol. Its IUPAC name is 3-amino-1-[2-(1H-pyrazol-4-yl)piperidin-1-yl]propan-1-one.

Molecular Properties

Compound Name3-amino-1-[2-(1H-pyrazol-4-yl)piperidin-1-yl]propan-1-one
PubChem CID119888402
Molecular FormulaC11H18N4O
Molecular Weight222.29 g/mol
Exact Mass222.15
IUPAC Name3-amino-1-[2-(1H-pyrazol-4-yl)piperidin-1-yl]propan-1-one
SMILESNCCC(=O)N1CCCCC1c1cn[nH]c1
InChIInChI=1S/C11H18N4O/c12-5-4-11(16)15-6-2-1-3-10(15)9-7-13-14-8-9/h7-8,10H,1-6,12H2,(H,13,14)
InChIKeySRYJKGBDLAKDKN-UHFFFAOYSA-N
XLogP0.81
TPSA75.01 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500222.29
LogP ≤ 50.81
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

3-(2-aminophenyl)-1-[2-(1H-pyrazol-4-yl)piperidin-1-yl]propan-1-one
CID 120613233
4-amino-3-methoxy-1-[2-(1H-pyrazol-4-yl)piperidin-1-yl]butan-1-one;dihydrochloride
CID 120597000
2-(1-hydroxycyclohexyl)-1-[2-(1H-pyrazol-4-yl)piperidin-1-yl]ethanone
CID 111538701
2-(4-methyl-2-sulfanylidene-3H-1,3-thiazol-5-yl)-1-[2-(1H-pyrazol-4-yl)piperidin-1-yl]ethanone
CID 102557167
N-[4-oxo-4-[(2S)-2-(1H-pyrazol-4-yl)piperidin-1-yl]butyl]thiophene-3-carboxamide
CID 97085306
3-amino-2-methyl-3-phenyl-1-[2-(1H-pyrazol-4-yl)piperidin-1-yl]propan-1-one
CID 119888376
tert-butyl 2-(1H-pyrazol-4-yl)pyrrolidine-1-carboxylate
CID 122170287
(2R)-2-(1H-pyrazol-4-yl)-N-(pyridazin-3-ylmethyl)piperidine-1-carboxamide
CID 124721747
N-(2-tert-butylpyrazol-3-yl)-2-(1H-pyrazol-4-yl)piperidine-1-carboxamide
CID 154754412
N-(3-phenylprop-2-ynyl)-2-(1H-pyrazol-4-yl)piperidine-1-carboxamide
CID 84597437
(2R)-N-(3-phenylprop-2-ynyl)-2-(1H-pyrazol-4-yl)piperidine-1-carboxamide
CID 98573367
N-[3-(2-methylpropanoylamino)propyl]-2-(1H-pyrazol-4-yl)piperidine-1-carboxamide
CID 75499708

Frequently Asked Questions

What is the IUPAC name of 3-amino-1-[2-(1H-pyrazol-4-yl)piperidin-1-yl]propan-1-one?
The IUPAC name of 3-amino-1-[2-(1H-pyrazol-4-yl)piperidin-1-yl]propan-1-one (CID 119888402) is 3-amino-1-[2-(1H-pyrazol-4-yl)piperidin-1-yl]propan-1-one.
What is the SMILES notation for 3-amino-1-[2-(1H-pyrazol-4-yl)piperidin-1-yl]propan-1-one?
The canonical SMILES for 3-amino-1-[2-(1H-pyrazol-4-yl)piperidin-1-yl]propan-1-one is NCCC(=O)N1CCCCC1c1cn[nH]c1.
What is the InChIKey of 3-amino-1-[2-(1H-pyrazol-4-yl)piperidin-1-yl]propan-1-one?
The InChIKey is SRYJKGBDLAKDKN-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H18N4O/c12-5-4-11(16)15-6-2-1-3-10(15)9-7-13-14-8-9/h7-8,10H,1-6,12H2,(H,13,14).
What are the key properties of 3-amino-1-[2-(1H-pyrazol-4-yl)piperidin-1-yl]propan-1-one?
3-amino-1-[2-(1H-pyrazol-4-yl)piperidin-1-yl]propan-1-one has a molecular weight of 222.29 g/mol, XLogP of 0.81, 3 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-amino-1-[2-(1H-pyrazol-4-yl)piperidin-1-yl]propan-1-one is sourced from PubChem (CID 119888402), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).