3-[2-(2-pyrazol-1-ylethyl)piperidine-1-carbonyl]-1H-quinolin-2-one

C20H22N4O2 — CID 77086103

IUPAC3-[2-(2-pyrazol-1-ylethyl)piperidine-1-carbonyl]-1H-quinolin-2-one
SMILESO=C(c1cc2ccccc2[nH]c1=O)N1CCCCC1CCn1cccn1
InChIInChI=1S/C20H22N4O2/c25-19-17(14-15-6-1-2-8-18(15)22-19)20(26)24-12-4-3-7-16(24)9-13-23-11-5-10-21-23/h1-2,5-6,8,10-11,14,16H,3-4,7,9,12-13H2,(H,22,25)
InChIKeySMRHFZCJRSYFOC-UHFFFAOYSA-N
MW350.42 g/mol
LogP2.81
Rot. Bonds4

About 3-[2-(2-pyrazol-1-ylethyl)piperidine-1-carbonyl]-1H-quinolin-2-one

3-[2-(2-pyrazol-1-ylethyl)piperidine-1-carbonyl]-1H-quinolin-2-one (PubChem CID 77086103) has the molecular formula C20H22N4O2 and a molecular weight of 350.42 g/mol. Its IUPAC name is 3-[2-(2-pyrazol-1-ylethyl)piperidine-1-carbonyl]-1H-quinolin-2-one.

Molecular Properties

Compound Name3-[2-(2-pyrazol-1-ylethyl)piperidine-1-carbonyl]-1H-quinolin-2-one
PubChem CID77086103
Molecular FormulaC20H22N4O2
Molecular Weight350.42 g/mol
Exact Mass350.17
IUPAC Name3-[2-(2-pyrazol-1-ylethyl)piperidine-1-carbonyl]-1H-quinolin-2-one
SMILESO=C(c1cc2ccccc2[nH]c1=O)N1CCCCC1CCn1cccn1
InChIInChI=1S/C20H22N4O2/c25-19-17(14-15-6-1-2-8-18(15)22-19)20(26)24-12-4-3-7-16(24)9-13-23-11-5-10-21-23/h1-2,5-6,8,10-11,14,16H,3-4,7,9,12-13H2,(H,22,25)
InChIKeySMRHFZCJRSYFOC-UHFFFAOYSA-N
XLogP2.81
TPSA70.99 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500350.42
LogP ≤ 52.81
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

3-[3-oxo-3-[(2R)-2-(2-pyrazol-1-ylethyl)piperidin-1-yl]propyl]-1H-quinoxalin-2-one
CID 97140516
3-[2-(methylaminomethyl)pyrrolidine-1-carbonyl]-1H-quinolin-2-one
CID 119650109
(5-phenyl-1H-pyrazol-4-yl)-[(2S)-2-(2-pyrazol-1-ylethyl)piperidin-1-yl]methanone
CID 97146479
6-methyl-4-[(2R)-2-(2-pyrazol-1-ylethyl)piperidine-1-carbonyl]-1H-pyridin-2-one
CID 99932907
(3,5-dimethyl-1H-indol-2-yl)-[(2R)-2-(2-pyrazol-1-ylethyl)piperidin-1-yl]methanone
CID 97148859
[5-(difluoromethyl)-1H-pyrazol-3-yl]-[2-(2-pyrazol-1-ylethyl)piperidin-1-yl]methanone
CID 91773356
1,3-oxazol-5-yl-[2-(2-pyrazol-1-ylethyl)piperidin-1-yl]methanone
CID 91796110
[(2S)-2-(2-pyrazol-1-ylethyl)piperidin-1-yl]-(3-pyridin-4-yl-1H-pyrazol-5-yl)methanone
CID 97138367
(2R,3R)-2-methyl-1-(2-oxo-1H-quinoline-3-carbonyl)piperidine-3-carboxylic acid
CID 122115205
(2R)-N-(1H-indol-5-yl)-2-(2-pyrazol-1-ylethyl)piperidine-1-carboxamide
CID 125171803
[4-(difluoromethoxy)phenyl]-[2-(2-pyrazol-1-ylethyl)piperidin-1-yl]methanone
CID 70719362
1-[3-oxo-3-[(2S)-2-(2-pyrazol-1-ylethyl)piperidin-1-yl]propyl]pyrimidine-2,4-dione
CID 99929057

Frequently Asked Questions

What is the IUPAC name of 3-[2-(2-pyrazol-1-ylethyl)piperidine-1-carbonyl]-1H-quinolin-2-one?
The IUPAC name of 3-[2-(2-pyrazol-1-ylethyl)piperidine-1-carbonyl]-1H-quinolin-2-one (CID 77086103) is 3-[2-(2-pyrazol-1-ylethyl)piperidine-1-carbonyl]-1H-quinolin-2-one.
What is the SMILES notation for 3-[2-(2-pyrazol-1-ylethyl)piperidine-1-carbonyl]-1H-quinolin-2-one?
The canonical SMILES for 3-[2-(2-pyrazol-1-ylethyl)piperidine-1-carbonyl]-1H-quinolin-2-one is O=C(c1cc2ccccc2[nH]c1=O)N1CCCCC1CCn1cccn1.
What is the InChIKey of 3-[2-(2-pyrazol-1-ylethyl)piperidine-1-carbonyl]-1H-quinolin-2-one?
The InChIKey is SMRHFZCJRSYFOC-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H22N4O2/c25-19-17(14-15-6-1-2-8-18(15)22-19)20(26)24-12-4-3-7-16(24)9-13-23-11-5-10-21-23/h1-2,5-6,8,10-11,14,16H,3-4,7,9,12-13H2,(H,22,25).
What are the key properties of 3-[2-(2-pyrazol-1-ylethyl)piperidine-1-carbonyl]-1H-quinolin-2-one?
3-[2-(2-pyrazol-1-ylethyl)piperidine-1-carbonyl]-1H-quinolin-2-one has a molecular weight of 350.42 g/mol, XLogP of 2.81, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[2-(2-pyrazol-1-ylethyl)piperidine-1-carbonyl]-1H-quinolin-2-one is sourced from PubChem (CID 77086103), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).