6-[[[(1R)-2-oxo-1-phenyl-2-piperidin-1-ylethyl]amino]methyl]-1H-quinolin-2-one

C23H25N3O2 — CID 129223143

IUPAC6-[[[(1R)-2-oxo-1-phenyl-2-piperidin-1-ylethyl]amino]methyl]-1H-quinolin-2-one
SMILESO=C([C@H](NCc1ccc2[nH]c(=O)ccc2c1)c1ccccc1)N1CCCCC1
InChIInChI=1S/C23H25N3O2/c27-21-12-10-19-15-17(9-11-20(19)25-21)16-24-22(18-7-3-1-4-8-18)23(28)26-13-5-2-6-14-26/h1,3-4,7-12,15,22,24H,2,5-6,13-14,16H2,(H,25,27)/t22-/m1/s1
InChIKeyKQRNKSQWSKSVNB-JOCHJYFZSA-N
MW375.47 g/mol
LogP3.37
Rot. Bonds5

About 6-[[[(1R)-2-oxo-1-phenyl-2-piperidin-1-ylethyl]amino]methyl]-1H-quinolin-2-one

6-[[[(1R)-2-oxo-1-phenyl-2-piperidin-1-ylethyl]amino]methyl]-1H-quinolin-2-one (PubChem CID 129223143) has the molecular formula C23H25N3O2 and a molecular weight of 375.47 g/mol. Its IUPAC name is 6-[[[(1R)-2-oxo-1-phenyl-2-piperidin-1-ylethyl]amino]methyl]-1H-quinolin-2-one.

Molecular Properties

Compound Name6-[[[(1R)-2-oxo-1-phenyl-2-piperidin-1-ylethyl]amino]methyl]-1H-quinolin-2-one
PubChem CID129223143
Molecular FormulaC23H25N3O2
Molecular Weight375.47 g/mol
Exact Mass375.19
IUPAC Name6-[[[(1R)-2-oxo-1-phenyl-2-piperidin-1-ylethyl]amino]methyl]-1H-quinolin-2-one
SMILESO=C([C@H](NCc1ccc2[nH]c(=O)ccc2c1)c1ccccc1)N1CCCCC1
InChIInChI=1S/C23H25N3O2/c27-21-12-10-19-15-17(9-11-20(19)25-21)16-24-22(18-7-3-1-4-8-18)23(28)26-13-5-2-6-14-26/h1,3-4,7-12,15,22,24H,2,5-6,13-14,16H2,(H,25,27)/t22-/m1/s1
InChIKeyKQRNKSQWSKSVNB-JOCHJYFZSA-N
XLogP3.37
TPSA65.20 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500375.47
LogP ≤ 53.37
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Analyze 6-[[[(1R)-2-oxo-1-phenyl-2-piperidin-1-ylethyl]amino]methyl]-1H-quinolin-2-one with MolForge

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Related Compounds

N-[(1R)-2-(4-benzylpiperidin-1-yl)-2-oxo-1-phenylethyl]-2-oxo-1H-quinoline-6-sulfonamide
CID 118636174
N-[2-[(2-oxo-1-phenyl-2-pyrrolidin-1-ylethyl)amino]ethyl]ethanesulfonamide
CID 51107460
1-benzyl-3-[(1S)-2-oxo-1-phenyl-2-piperidin-1-ylethyl]urea
CID 110354058
(2S)-2-[(3,5-dimethyl-1,2-oxazol-4-yl)methylamino]-2-phenyl-1-piperidin-1-ylethanone
CID 95139264
2-phenyl-1-pyrrolidin-1-yl-2-[[2-(trifluoromethoxy)phenyl]methylamino]ethanone
CID 55471032
[1-(methylamino)-1-oxo-3-[1-[2-(2-oxo-1H-quinolin-6-yl)acetyl]piperidin-4-yl]propan-2-yl]carbamic acid
CID 170161914
2,2-dimethyl-N-[(1S)-2-oxo-1-phenyl-2-piperidin-1-ylethyl]propanamide
CID 110286834
2-(oxolan-2-ylmethylamino)-2-phenyl-1-pyrrolidin-1-ylethanone
CID 55409532
N-[(1S)-2-oxo-1-phenyl-2-piperidin-1-ylethyl]thiophene-2-carboxamide
CID 31697369
2-[(3-bromophenyl)methylamino]-1-piperidin-1-ylpropan-1-one
CID 60931628
1-(azepan-1-yl)-2-[(3-chlorophenyl)methylamino]propan-1-one
CID 60677398
(2R)-2-hydroxy-2-phenyl-1-piperidin-1-ylethanone
CID 25233871

Frequently Asked Questions

What is the IUPAC name of 6-[[[(1R)-2-oxo-1-phenyl-2-piperidin-1-ylethyl]amino]methyl]-1H-quinolin-2-one?
The IUPAC name of 6-[[[(1R)-2-oxo-1-phenyl-2-piperidin-1-ylethyl]amino]methyl]-1H-quinolin-2-one (CID 129223143) is 6-[[[(1R)-2-oxo-1-phenyl-2-piperidin-1-ylethyl]amino]methyl]-1H-quinolin-2-one.
What is the SMILES notation for 6-[[[(1R)-2-oxo-1-phenyl-2-piperidin-1-ylethyl]amino]methyl]-1H-quinolin-2-one?
The canonical SMILES for 6-[[[(1R)-2-oxo-1-phenyl-2-piperidin-1-ylethyl]amino]methyl]-1H-quinolin-2-one is O=C([C@H](NCc1ccc2[nH]c(=O)ccc2c1)c1ccccc1)N1CCCCC1.
What is the InChIKey of 6-[[[(1R)-2-oxo-1-phenyl-2-piperidin-1-ylethyl]amino]methyl]-1H-quinolin-2-one?
The InChIKey is KQRNKSQWSKSVNB-JOCHJYFZSA-N. The full InChI is InChI=1S/C23H25N3O2/c27-21-12-10-19-15-17(9-11-20(19)25-21)16-24-22(18-7-3-1-4-8-18)23(28)26-13-5-2-6-14-26/h1,3-4,7-12,15,22,24H,2,5-6,13-14,16H2,(H,25,27)/t22-/m1/s1.
What are the key properties of 6-[[[(1R)-2-oxo-1-phenyl-2-piperidin-1-ylethyl]amino]methyl]-1H-quinolin-2-one?
6-[[[(1R)-2-oxo-1-phenyl-2-piperidin-1-ylethyl]amino]methyl]-1H-quinolin-2-one has a molecular weight of 375.47 g/mol, XLogP of 3.37, 5 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 6-[[[(1R)-2-oxo-1-phenyl-2-piperidin-1-ylethyl]amino]methyl]-1H-quinolin-2-one is sourced from PubChem (CID 129223143), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).