1-[(3R)-3-pyrazol-1-ylpiperidin-1-yl]-4-pyridin-2-ylbutan-1-one

C17H22N4O — CID 95160540

IUPAC1-[(3R)-3-pyrazol-1-ylpiperidin-1-yl]-4-pyridin-2-ylbutan-1-one
SMILESO=C(CCCc1ccccn1)N1CCC[C@@H](n2cccn2)C1
InChIInChI=1S/C17H22N4O/c22-17(9-3-7-15-6-1-2-10-18-15)20-12-4-8-16(14-20)21-13-5-11-19-21/h1-2,5-6,10-11,13,16H,3-4,7-9,12,14H2/t16-/m1/s1
InChIKeyPYXPVWCKEDARFD-MRXNPFEDSA-N
MW298.39 g/mol
LogP2.46
Rot. Bonds5

About 1-[(3R)-3-pyrazol-1-ylpiperidin-1-yl]-4-pyridin-2-ylbutan-1-one

1-[(3R)-3-pyrazol-1-ylpiperidin-1-yl]-4-pyridin-2-ylbutan-1-one (PubChem CID 95160540) has the molecular formula C17H22N4O and a molecular weight of 298.39 g/mol. Its IUPAC name is 1-[(3R)-3-pyrazol-1-ylpiperidin-1-yl]-4-pyridin-2-ylbutan-1-one.

Molecular Properties

Compound Name1-[(3R)-3-pyrazol-1-ylpiperidin-1-yl]-4-pyridin-2-ylbutan-1-one
PubChem CID95160540
Molecular FormulaC17H22N4O
Molecular Weight298.39 g/mol
Exact Mass298.18
IUPAC Name1-[(3R)-3-pyrazol-1-ylpiperidin-1-yl]-4-pyridin-2-ylbutan-1-one
SMILESO=C(CCCc1ccccn1)N1CCC[C@@H](n2cccn2)C1
InChIInChI=1S/C17H22N4O/c22-17(9-3-7-15-6-1-2-10-18-15)20-12-4-8-16(14-20)21-13-5-11-19-21/h1-2,5-6,10-11,13,16H,3-4,7-9,12,14H2/t16-/m1/s1
InChIKeyPYXPVWCKEDARFD-MRXNPFEDSA-N
XLogP2.46
TPSA51.02 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500298.39
LogP ≤ 52.46
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Related Compounds

1-[(3R)-3-(2-methylimidazol-1-yl)piperidin-1-yl]-4-pyridin-2-ylbutan-1-one
CID 95310251
1-[(3R)-3-(3,5-dimethylpyrazol-1-yl)piperidin-1-yl]-4-pyridin-2-ylbutan-1-one
CID 95609115
1-[(3S)-3-(4,5-dimethyl-1,3-thiazol-2-yl)piperidin-1-yl]-4-pyridin-2-ylbutan-1-one
CID 95777800
1-[4-[(1S,2S)-2-hydroxycyclopentyl]piperazin-1-yl]-4-pyridin-2-ylbutan-1-one
CID 95759735
3-pyridin-2-yl-1-pyrrolidin-1-ylpropan-1-one
CID 84583378
2-(6-methyl-3-pyridinyl)-1-[(3R)-3-pyrazol-1-ylpiperidin-1-yl]ethanone
CID 95283301
(3S)-1-[(3R)-3-pyrazol-1-ylpiperidin-1-yl]-3-pyrrol-1-ylbutan-1-one
CID 95158097
3-[2-oxo-2-[(3S)-3-pyrazol-1-ylpiperidin-1-yl]ethyl]-1,3-thiazolidin-4-one
CID 95281683
(3S)-3-[2-oxo-2-[(3R)-3-pyrazol-1-ylpiperidin-1-yl]ethyl]-1,3-dihydroindol-2-one
CID 95275178
phenyl 3-pyrazol-1-ylpiperidine-1-carboxylate
CID 110472446
2-(5-methylthiophen-2-yl)-1-[(3R)-3-pyrazol-1-ylpiperidin-1-yl]ethanone
CID 95273424
1-[3-(1-aminoethyl)piperidin-1-yl]-3-pyridin-2-ylpropan-1-one;dihydrochloride
CID 119596760

Frequently Asked Questions

What is the IUPAC name of 1-[(3R)-3-pyrazol-1-ylpiperidin-1-yl]-4-pyridin-2-ylbutan-1-one?
The IUPAC name of 1-[(3R)-3-pyrazol-1-ylpiperidin-1-yl]-4-pyridin-2-ylbutan-1-one (CID 95160540) is 1-[(3R)-3-pyrazol-1-ylpiperidin-1-yl]-4-pyridin-2-ylbutan-1-one.
What is the SMILES notation for 1-[(3R)-3-pyrazol-1-ylpiperidin-1-yl]-4-pyridin-2-ylbutan-1-one?
The canonical SMILES for 1-[(3R)-3-pyrazol-1-ylpiperidin-1-yl]-4-pyridin-2-ylbutan-1-one is O=C(CCCc1ccccn1)N1CCC[C@@H](n2cccn2)C1.
What is the InChIKey of 1-[(3R)-3-pyrazol-1-ylpiperidin-1-yl]-4-pyridin-2-ylbutan-1-one?
The InChIKey is PYXPVWCKEDARFD-MRXNPFEDSA-N. The full InChI is InChI=1S/C17H22N4O/c22-17(9-3-7-15-6-1-2-10-18-15)20-12-4-8-16(14-20)21-13-5-11-19-21/h1-2,5-6,10-11,13,16H,3-4,7-9,12,14H2/t16-/m1/s1.
What are the key properties of 1-[(3R)-3-pyrazol-1-ylpiperidin-1-yl]-4-pyridin-2-ylbutan-1-one?
1-[(3R)-3-pyrazol-1-ylpiperidin-1-yl]-4-pyridin-2-ylbutan-1-one has a molecular weight of 298.39 g/mol, XLogP of 2.46, 5 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[(3R)-3-pyrazol-1-ylpiperidin-1-yl]-4-pyridin-2-ylbutan-1-one is sourced from PubChem (CID 95160540), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).