4-[4-[(1S,2R)-2-hydroxycyclopentyl]piperazine-1-carbonyl]-1H-quinolin-2-one

C19H23N3O3 — CID 95759127

IUPAC4-[4-[(1S,2R)-2-hydroxycyclopentyl]piperazine-1-carbonyl]-1H-quinolin-2-one
SMILESO=C(c1cc(=O)[nH]c2ccccc12)N1CCN([C@H]2CCC[C@H]2O)CC1
InChIInChI=1S/C19H23N3O3/c23-17-7-3-6-16(17)21-8-10-22(11-9-21)19(25)14-12-18(24)20-15-5-2-1-4-13(14)15/h1-2,4-5,12,16-17,23H,3,6-11H2,(H,20,24)/t16-,17+/m0/s1
InChIKeyISTXXCDHVXFPRG-DLBZAZTESA-N
MW341.41 g/mol
LogP1.20
Rot. Bonds2

About 4-[4-[(1S,2R)-2-hydroxycyclopentyl]piperazine-1-carbonyl]-1H-quinolin-2-one

4-[4-[(1S,2R)-2-hydroxycyclopentyl]piperazine-1-carbonyl]-1H-quinolin-2-one (PubChem CID 95759127) has the molecular formula C19H23N3O3 and a molecular weight of 341.41 g/mol. Its IUPAC name is 4-[4-[(1S,2R)-2-hydroxycyclopentyl]piperazine-1-carbonyl]-1H-quinolin-2-one.

Molecular Properties

Compound Name4-[4-[(1S,2R)-2-hydroxycyclopentyl]piperazine-1-carbonyl]-1H-quinolin-2-one
PubChem CID95759127
Molecular FormulaC19H23N3O3
Molecular Weight341.41 g/mol
Exact Mass341.17
IUPAC Name4-[4-[(1S,2R)-2-hydroxycyclopentyl]piperazine-1-carbonyl]-1H-quinolin-2-one
SMILESO=C(c1cc(=O)[nH]c2ccccc12)N1CCN([C@H]2CCC[C@H]2O)CC1
InChIInChI=1S/C19H23N3O3/c23-17-7-3-6-16(17)21-8-10-22(11-9-21)19(25)14-12-18(24)20-15-5-2-1-4-13(14)15/h1-2,4-5,12,16-17,23H,3,6-11H2,(H,20,24)/t16-,17+/m0/s1
InChIKeyISTXXCDHVXFPRG-DLBZAZTESA-N
XLogP1.20
TPSA76.64 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500341.41
LogP ≤ 51.20
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Analyze 4-[4-[(1S,2R)-2-hydroxycyclopentyl]piperazine-1-carbonyl]-1H-quinolin-2-one with MolForge

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Related Compounds

4-(3-hydroxypiperidine-1-carbonyl)-1H-quinolin-2-one
CID 43390694
1-(2-oxo-1H-quinoline-4-carbonyl)piperidine-4-carbonitrile
CID 47086841
4-(1,3-dihydroisoindole-2-carbonyl)-1H-quinolin-2-one
CID 72892217
4-[4-(4-methoxyphenyl)piperazine-1-carbonyl]-1H-quinolin-2-one
CID 2102546
4-(4-pyridin-2-ylpiperazine-1-carbonyl)-1H-quinolin-2-one
CID 18104771
4-(4-ethylpiperazin-4-ium-1-carbonyl)-1H-quinolin-2-one
CID 2394404
4-(2,3,4a,5,6,7,8,8a-octahydrobenzo[b][1,4]oxazine-4-carbonyl)-1H-quinolin-2-one
CID 71940629
4-[(3R)-3-(methylaminomethyl)piperidine-1-carbonyl]-1H-quinolin-2-one
CID 124684521
4-(4-amino-3,3-dimethylpiperidine-1-carbonyl)-1H-quinolin-2-one;hydrochloride
CID 120814628
4-[4-[(4-fluorophenyl)methyl]-1,4-diazepane-1-carbonyl]-1H-quinolin-2-one
CID 36856446
3-[(3R)-1-(2-oxo-1H-quinoline-4-carbonyl)piperidin-3-yl]propanoic acid
CID 124701897
4-[(2S)-2-[(1R)-2-oxocyclohexyl]pyrrolidine-1-carbonyl]-1H-quinolin-2-one
CID 96535372

Frequently Asked Questions

What is the IUPAC name of 4-[4-[(1S,2R)-2-hydroxycyclopentyl]piperazine-1-carbonyl]-1H-quinolin-2-one?
The IUPAC name of 4-[4-[(1S,2R)-2-hydroxycyclopentyl]piperazine-1-carbonyl]-1H-quinolin-2-one (CID 95759127) is 4-[4-[(1S,2R)-2-hydroxycyclopentyl]piperazine-1-carbonyl]-1H-quinolin-2-one.
What is the SMILES notation for 4-[4-[(1S,2R)-2-hydroxycyclopentyl]piperazine-1-carbonyl]-1H-quinolin-2-one?
The canonical SMILES for 4-[4-[(1S,2R)-2-hydroxycyclopentyl]piperazine-1-carbonyl]-1H-quinolin-2-one is O=C(c1cc(=O)[nH]c2ccccc12)N1CCN([C@H]2CCC[C@H]2O)CC1.
What is the InChIKey of 4-[4-[(1S,2R)-2-hydroxycyclopentyl]piperazine-1-carbonyl]-1H-quinolin-2-one?
The InChIKey is ISTXXCDHVXFPRG-DLBZAZTESA-N. The full InChI is InChI=1S/C19H23N3O3/c23-17-7-3-6-16(17)21-8-10-22(11-9-21)19(25)14-12-18(24)20-15-5-2-1-4-13(14)15/h1-2,4-5,12,16-17,23H,3,6-11H2,(H,20,24)/t16-,17+/m0/s1.
What are the key properties of 4-[4-[(1S,2R)-2-hydroxycyclopentyl]piperazine-1-carbonyl]-1H-quinolin-2-one?
4-[4-[(1S,2R)-2-hydroxycyclopentyl]piperazine-1-carbonyl]-1H-quinolin-2-one has a molecular weight of 341.41 g/mol, XLogP of 1.20, 2 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[4-[(1S,2R)-2-hydroxycyclopentyl]piperazine-1-carbonyl]-1H-quinolin-2-one is sourced from PubChem (CID 95759127), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).