(3S)-3-[(2S)-butan-2-yl]-4-(4-hydroxypiperidine-1-carbonyl)-1,3-dihydroquinoxalin-2-one

C18H25N3O3 — CID 177274222

IUPAC(3S)-3-[(2S)-butan-2-yl]-4-(4-hydroxypiperidine-1-carbonyl)-1,3-dihydroquinoxalin-2-one
SMILESCC[C@H](C)[C@H]1C(=O)Nc2ccccc2N1C(=O)N1CCC(O)CC1
InChIInChI=1S/C18H25N3O3/c1-3-12(2)16-17(23)19-14-6-4-5-7-15(14)21(16)18(24)20-10-8-13(22)9-11-20/h4-7,12-13,16,22H,3,8-11H2,1-2H3,(H,19,23)/t12-,16-/m0/s1
InChIKeySNLZKPYAXKTUCX-LRDDRELGSA-N
MW331.42 g/mol
LogP2.44
Rot. Bonds2

About (3S)-3-[(2S)-butan-2-yl]-4-(4-hydroxypiperidine-1-carbonyl)-1,3-dihydroquinoxalin-2-one

(3S)-3-[(2S)-butan-2-yl]-4-(4-hydroxypiperidine-1-carbonyl)-1,3-dihydroquinoxalin-2-one (PubChem CID 177274222) has the molecular formula C18H25N3O3 and a molecular weight of 331.42 g/mol. Its IUPAC name is (3S)-3-[(2S)-butan-2-yl]-4-(4-hydroxypiperidine-1-carbonyl)-1,3-dihydroquinoxalin-2-one.

Molecular Properties

Compound Name(3S)-3-[(2S)-butan-2-yl]-4-(4-hydroxypiperidine-1-carbonyl)-1,3-dihydroquinoxalin-2-one
PubChem CID177274222
Molecular FormulaC18H25N3O3
Molecular Weight331.42 g/mol
Exact Mass331.19
IUPAC Name(3S)-3-[(2S)-butan-2-yl]-4-(4-hydroxypiperidine-1-carbonyl)-1,3-dihydroquinoxalin-2-one
SMILESCC[C@H](C)[C@H]1C(=O)Nc2ccccc2N1C(=O)N1CCC(O)CC1
InChIInChI=1S/C18H25N3O3/c1-3-12(2)16-17(23)19-14-6-4-5-7-15(14)21(16)18(24)20-10-8-13(22)9-11-20/h4-7,12-13,16,22H,3,8-11H2,1-2H3,(H,19,23)/t12-,16-/m0/s1
InChIKeySNLZKPYAXKTUCX-LRDDRELGSA-N
XLogP2.44
TPSA72.88 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500331.42
LogP ≤ 52.44
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

3-butan-2-yl-4-(2-hydroxyacetyl)-1,3-dihydroquinoxalin-2-one
CID 170319947
3-butan-2-yl-4-(3-hydroxypyrrolidine-1-carbonyl)-3,5-dihydro-1H-1,4-benzodiazepin-2-one
CID 163292967
(2S)-2-[(2S)-butan-2-yl]-N-[(3S)-1-methylpyrrolidin-3-yl]-3-oxo-2,4-dihydroquinoxaline-1-carboxamide
CID 177274145
2-butan-2-yl-N-(1-methylpyrrolidin-3-yl)-3-oxo-2,4-dihydroquinoxaline-1-carboxamide
CID 170319910
3-butan-2-yl-4-(1H-pyrazole-5-carbonyl)-1,3-dihydroquinoxalin-2-one
CID 170320096
3-butan-2-yl-4-(1H-pyrazole-4-carbonyl)-1,3-dihydroquinoxalin-2-one
CID 170319906
(3S)-3-[(2S)-butan-2-yl]-4-(4-methylpiperazine-1-carbonyl)-3,5-dihydro-1H-1,4-benzodiazepin-2-one
CID 163293310
methyl 4-(3-butan-2-yl-2-oxo-3,5-dihydro-1H-1,4-benzodiazepine-4-carbonyl)piperazine-1-carboxylate
CID 163293279
(3S)-3-[(2S)-butan-2-yl]-4-(4-methylsulfonylpiperazine-1-carbonyl)-3,5-dihydro-1H-1,4-benzodiazepin-2-one
CID 163293085
(3S)-3-[(2S)-butan-2-yl]-4-[(2R)-pyrrolidine-2-carbonyl]-3,5-dihydro-1H-1,4-benzodiazepin-2-one
CID 163293317
N-[1-(3-butan-2-yl-2-oxo-3,5-dihydro-1H-1,4-benzodiazepine-4-carbonyl)pyrrolidin-3-yl]-N-methylacetamide
CID 163292535
(3S)-3-[(2S)-butan-2-yl]-4-(3,3-difluoroazetidine-1-carbonyl)-3,5-dihydro-1H-1,4-benzodiazepin-2-one
CID 163293022

Frequently Asked Questions

What is the IUPAC name of (3S)-3-[(2S)-butan-2-yl]-4-(4-hydroxypiperidine-1-carbonyl)-1,3-dihydroquinoxalin-2-one?
The IUPAC name of (3S)-3-[(2S)-butan-2-yl]-4-(4-hydroxypiperidine-1-carbonyl)-1,3-dihydroquinoxalin-2-one (CID 177274222) is (3S)-3-[(2S)-butan-2-yl]-4-(4-hydroxypiperidine-1-carbonyl)-1,3-dihydroquinoxalin-2-one.
What is the SMILES notation for (3S)-3-[(2S)-butan-2-yl]-4-(4-hydroxypiperidine-1-carbonyl)-1,3-dihydroquinoxalin-2-one?
The canonical SMILES for (3S)-3-[(2S)-butan-2-yl]-4-(4-hydroxypiperidine-1-carbonyl)-1,3-dihydroquinoxalin-2-one is CC[C@H](C)[C@H]1C(=O)Nc2ccccc2N1C(=O)N1CCC(O)CC1.
What is the InChIKey of (3S)-3-[(2S)-butan-2-yl]-4-(4-hydroxypiperidine-1-carbonyl)-1,3-dihydroquinoxalin-2-one?
The InChIKey is SNLZKPYAXKTUCX-LRDDRELGSA-N. The full InChI is InChI=1S/C18H25N3O3/c1-3-12(2)16-17(23)19-14-6-4-5-7-15(14)21(16)18(24)20-10-8-13(22)9-11-20/h4-7,12-13,16,22H,3,8-11H2,1-2H3,(H,19,23)/t12-,16-/m0/s1.
What are the key properties of (3S)-3-[(2S)-butan-2-yl]-4-(4-hydroxypiperidine-1-carbonyl)-1,3-dihydroquinoxalin-2-one?
(3S)-3-[(2S)-butan-2-yl]-4-(4-hydroxypiperidine-1-carbonyl)-1,3-dihydroquinoxalin-2-one has a molecular weight of 331.42 g/mol, XLogP of 2.44, 2 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (3S)-3-[(2S)-butan-2-yl]-4-(4-hydroxypiperidine-1-carbonyl)-1,3-dihydroquinoxalin-2-one is sourced from PubChem (CID 177274222), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).