3-[2-(4-methyl-1H-pyrazol-5-yl)piperidine-1-carbonyl]-5,6,7,8-tetrahydro-1H-quinolin-2-one

C19H24N4O2 — CID 127247369

IUPAC3-[2-(4-methyl-1H-pyrazol-5-yl)piperidine-1-carbonyl]-5,6,7,8-tetrahydro-1H-quinolin-2-one
SMILESCc1cn[nH]c1C1CCCCN1C(=O)c1cc2c([nH]c1=O)CCCC2
InChIInChI=1S/C19H24N4O2/c1-12-11-20-22-17(12)16-8-4-5-9-23(16)19(25)14-10-13-6-2-3-7-15(13)21-18(14)24/h10-11,16H,2-9H2,1H3,(H,20,22)(H,21,24)
InChIKeyZQTHEQKSGARCDH-UHFFFAOYSA-N
MW340.43 g/mol
LogP2.65
Rot. Bonds2

About 3-[2-(4-methyl-1H-pyrazol-5-yl)piperidine-1-carbonyl]-5,6,7,8-tetrahydro-1H-quinolin-2-one

3-[2-(4-methyl-1H-pyrazol-5-yl)piperidine-1-carbonyl]-5,6,7,8-tetrahydro-1H-quinolin-2-one (PubChem CID 127247369) has the molecular formula C19H24N4O2 and a molecular weight of 340.43 g/mol. Its IUPAC name is 3-[2-(4-methyl-1H-pyrazol-5-yl)piperidine-1-carbonyl]-5,6,7,8-tetrahydro-1H-quinolin-2-one.

Molecular Properties

Compound Name3-[2-(4-methyl-1H-pyrazol-5-yl)piperidine-1-carbonyl]-5,6,7,8-tetrahydro-1H-quinolin-2-one
PubChem CID127247369
Molecular FormulaC19H24N4O2
Molecular Weight340.43 g/mol
Exact Mass340.19
IUPAC Name3-[2-(4-methyl-1H-pyrazol-5-yl)piperidine-1-carbonyl]-5,6,7,8-tetrahydro-1H-quinolin-2-one
SMILESCc1cn[nH]c1C1CCCCN1C(=O)c1cc2c([nH]c1=O)CCCC2
InChIInChI=1S/C19H24N4O2/c1-12-11-20-22-17(12)16-8-4-5-9-23(16)19(25)14-10-13-6-2-3-7-15(13)21-18(14)24/h10-11,16H,2-9H2,1H3,(H,20,22)(H,21,24)
InChIKeyZQTHEQKSGARCDH-UHFFFAOYSA-N
XLogP2.65
TPSA81.85 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500340.43
LogP ≤ 52.65
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Analyze 3-[2-(4-methyl-1H-pyrazol-5-yl)piperidine-1-carbonyl]-5,6,7,8-tetrahydro-1H-quinolin-2-one with MolForge

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Related Compounds

1-(5-{[4-(4-ethyl-1H-pyrazol-5-yl)-1-piperidinyl]carbonyl}-6-hydroxy-2-methyl-3-pyridinyl)ethanone
CID 56738231
5-{[4-(4-ethyl-1H-pyrazol-5-yl)-1-piperidinyl]carbonyl}-2-hydroxy-6-methylnicotinonitrile
CID 56757298
5-{[3-(4-ethyl-1H-pyrazol-5-yl)-1-piperidinyl]carbonyl}-2-hydroxy-6-methylnicotinonitrile
CID 56758268
6-methyl-3-[3-(5-methyl-1H-pyrazol-3-yl)piperidine-1-carbonyl]-1H-pyridin-2-one
CID 71926805
3-(azepan-1-yl)-1-[2-(4-methyl-1H-pyrazol-5-yl)piperidin-1-yl]propan-1-one
CID 118741487
1-[2-(5-methyl-1H-pyrazol-4-yl)piperidin-1-yl]prop-2-en-1-one
CID 168289668
6-methyl-3-({4-[4-(3-methylphenyl)-1H-pyrazol-5-yl]-1-piperidinyl}carbonyl)-2-pyridinol
CID 56738964
3-({3-[4-(4-fluorophenyl)-1H-pyrazol-5-yl]-1-piperidinyl}carbonyl)-5,6-dimethyl-2-pyridinol
CID 56708811
(9aS)-2-[(5-cyclohexyl-1H-pyrazol-4-yl)methyl]-3,4,6,7,8,9a-hexahydro-1H-pyrazino[1,2-a]pyrazin-9-one
CID 95227179
4-[(3R)-3-(1H-pyrazol-4-yl)piperazine-1-carbonyl]-5,6,7,8-tetrahydro-1H-quinolin-2-one
CID 164630143
1-[4-[5-[[(2E)-2-ethylidene-1-[5-(trifluoromethyl)-1H-pyrazol-4-yl]pentyl]amino]-3a,7a-dihydro-1H-indazol-6-yl]piperazin-1-yl]prop-2-en-1-one
CID 166867881
3-({4-[4-(3-fluorophenyl)-1H-pyrazol-5-yl]-1-piperidinyl}carbonyl)-5,6-dimethyl-2-pyridinol
CID 56718249

Frequently Asked Questions

What is the IUPAC name of 3-[2-(4-methyl-1H-pyrazol-5-yl)piperidine-1-carbonyl]-5,6,7,8-tetrahydro-1H-quinolin-2-one?
The IUPAC name of 3-[2-(4-methyl-1H-pyrazol-5-yl)piperidine-1-carbonyl]-5,6,7,8-tetrahydro-1H-quinolin-2-one (CID 127247369) is 3-[2-(4-methyl-1H-pyrazol-5-yl)piperidine-1-carbonyl]-5,6,7,8-tetrahydro-1H-quinolin-2-one.
What is the SMILES notation for 3-[2-(4-methyl-1H-pyrazol-5-yl)piperidine-1-carbonyl]-5,6,7,8-tetrahydro-1H-quinolin-2-one?
The canonical SMILES for 3-[2-(4-methyl-1H-pyrazol-5-yl)piperidine-1-carbonyl]-5,6,7,8-tetrahydro-1H-quinolin-2-one is Cc1cn[nH]c1C1CCCCN1C(=O)c1cc2c([nH]c1=O)CCCC2.
What is the InChIKey of 3-[2-(4-methyl-1H-pyrazol-5-yl)piperidine-1-carbonyl]-5,6,7,8-tetrahydro-1H-quinolin-2-one?
The InChIKey is ZQTHEQKSGARCDH-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H24N4O2/c1-12-11-20-22-17(12)16-8-4-5-9-23(16)19(25)14-10-13-6-2-3-7-15(13)21-18(14)24/h10-11,16H,2-9H2,1H3,(H,20,22)(H,21,24).
What are the key properties of 3-[2-(4-methyl-1H-pyrazol-5-yl)piperidine-1-carbonyl]-5,6,7,8-tetrahydro-1H-quinolin-2-one?
3-[2-(4-methyl-1H-pyrazol-5-yl)piperidine-1-carbonyl]-5,6,7,8-tetrahydro-1H-quinolin-2-one has a molecular weight of 340.43 g/mol, XLogP of 2.65, 2 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[2-(4-methyl-1H-pyrazol-5-yl)piperidine-1-carbonyl]-5,6,7,8-tetrahydro-1H-quinolin-2-one is sourced from PubChem (CID 127247369), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).