3-(propan-2-ylamino)-1-[3-(1H-pyrazol-5-yl)piperidin-1-yl]propan-1-one

C14H24N4O — CID 54873257

IUPAC3-(propan-2-ylamino)-1-[3-(1H-pyrazol-5-yl)piperidin-1-yl]propan-1-one
SMILESCC(C)NCCC(=O)N1CCCC(c2ccn[nH]2)C1
InChIInChI=1S/C14H24N4O/c1-11(2)15-7-6-14(19)18-9-3-4-12(10-18)13-5-8-16-17-13/h5,8,11-12,15H,3-4,6-7,9-10H2,1-2H3,(H,16,17)
InChIKeyBGARWJLCJIGXHY-UHFFFAOYSA-N
MW264.37 g/mol
LogP1.50
Rot. Bonds5

About 3-(propan-2-ylamino)-1-[3-(1H-pyrazol-5-yl)piperidin-1-yl]propan-1-one

3-(propan-2-ylamino)-1-[3-(1H-pyrazol-5-yl)piperidin-1-yl]propan-1-one (PubChem CID 54873257) has the molecular formula C14H24N4O and a molecular weight of 264.37 g/mol. Its IUPAC name is 3-(propan-2-ylamino)-1-[3-(1H-pyrazol-5-yl)piperidin-1-yl]propan-1-one.

Molecular Properties

Compound Name3-(propan-2-ylamino)-1-[3-(1H-pyrazol-5-yl)piperidin-1-yl]propan-1-one
PubChem CID54873257
Molecular FormulaC14H24N4O
Molecular Weight264.37 g/mol
Exact Mass264.20
IUPAC Name3-(propan-2-ylamino)-1-[3-(1H-pyrazol-5-yl)piperidin-1-yl]propan-1-one
SMILESCC(C)NCCC(=O)N1CCCC(c2ccn[nH]2)C1
InChIInChI=1S/C14H24N4O/c1-11(2)15-7-6-14(19)18-9-3-4-12(10-18)13-5-8-16-17-13/h5,8,11-12,15H,3-4,6-7,9-10H2,1-2H3,(H,16,17)
InChIKeyBGARWJLCJIGXHY-UHFFFAOYSA-N
XLogP1.50
TPSA61.02 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500264.37
LogP ≤ 51.50
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

2-(2-methoxyethylamino)-1-[3-(1H-pyrazol-5-yl)piperidin-1-yl]ethanone
CID 79281663
3-(5-methylpyrazol-1-yl)-1-[3-(1H-pyrazol-5-yl)piperidin-1-yl]propan-1-one
CID 110259223
1-[3-(1H-pyrazol-5-yl)piperidin-1-yl]ethanone
CID 62867071
2-methyl-3-oxo-3-[3-(1H-pyrazol-5-yl)piperidin-1-yl]propanoic acid
CID 114897652
1-phenyl-4-[(3R)-3-(1H-pyrazol-5-yl)piperidin-1-yl]butane-1,4-dione
CID 97080910
(2R)-2-amino-3-methyl-1-[3-(1H-pyrazol-5-yl)piperidin-1-yl]butan-1-one
CID 79012541
3-(1-methylpyrazol-4-yl)-1-[3-(1H-pyrazol-5-yl)piperidin-1-yl]propan-1-one
CID 131929330
2-(1-propan-2-ylpyrazol-3-yl)-1-[(3R)-3-(1H-pyrazol-5-yl)piperidin-1-yl]ethanone
CID 95780445
2,2-difluoro-1-[3-(1H-pyrazol-5-yl)piperidin-1-yl]ethanone
CID 103514888
3-imidazol-1-yl-1-[(3R)-3-(1H-pyrazol-5-yl)piperidin-1-yl]propan-1-one
CID 124966328
6-amino-2-methyl-1-[3-(1H-pyrazol-5-yl)piperidin-1-yl]heptan-1-one
CID 65292377
1-[(3S)-3-(1H-pyrazol-5-yl)piperidin-1-yl]-3-(1,3,5-trimethylpyrazol-4-yl)propan-1-one
CID 129396875

Frequently Asked Questions

What is the IUPAC name of 3-(propan-2-ylamino)-1-[3-(1H-pyrazol-5-yl)piperidin-1-yl]propan-1-one?
The IUPAC name of 3-(propan-2-ylamino)-1-[3-(1H-pyrazol-5-yl)piperidin-1-yl]propan-1-one (CID 54873257) is 3-(propan-2-ylamino)-1-[3-(1H-pyrazol-5-yl)piperidin-1-yl]propan-1-one.
What is the SMILES notation for 3-(propan-2-ylamino)-1-[3-(1H-pyrazol-5-yl)piperidin-1-yl]propan-1-one?
The canonical SMILES for 3-(propan-2-ylamino)-1-[3-(1H-pyrazol-5-yl)piperidin-1-yl]propan-1-one is CC(C)NCCC(=O)N1CCCC(c2ccn[nH]2)C1.
What is the InChIKey of 3-(propan-2-ylamino)-1-[3-(1H-pyrazol-5-yl)piperidin-1-yl]propan-1-one?
The InChIKey is BGARWJLCJIGXHY-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H24N4O/c1-11(2)15-7-6-14(19)18-9-3-4-12(10-18)13-5-8-16-17-13/h5,8,11-12,15H,3-4,6-7,9-10H2,1-2H3,(H,16,17).
What are the key properties of 3-(propan-2-ylamino)-1-[3-(1H-pyrazol-5-yl)piperidin-1-yl]propan-1-one?
3-(propan-2-ylamino)-1-[3-(1H-pyrazol-5-yl)piperidin-1-yl]propan-1-one has a molecular weight of 264.37 g/mol, XLogP of 1.50, 5 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(propan-2-ylamino)-1-[3-(1H-pyrazol-5-yl)piperidin-1-yl]propan-1-one is sourced from PubChem (CID 54873257), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).