2-[[(2S)-2-benzyl-3-oxopiperazin-1-yl]methyl]-6-methyl-1H-quinolin-4-one

C22H23N3O2 — CID 97115671

IUPAC2-[[(2S)-2-benzyl-3-oxopiperazin-1-yl]methyl]-6-methyl-1H-quinolin-4-one
SMILESCc1ccc2[nH]c(CN3CCNC(=O)[C@@H]3Cc3ccccc3)cc(=O)c2c1
InChIInChI=1S/C22H23N3O2/c1-15-7-8-19-18(11-15)21(26)13-17(24-19)14-25-10-9-23-22(27)20(25)12-16-5-3-2-4-6-16/h2-8,11,13,20H,9-10,12,14H2,1H3,(H,23,27)(H,24,26)/t20-/m0/s1
InChIKeyZGYSBWROJIGTMJ-FQEVSTJZSA-N
MW361.45 g/mol
LogP2.38
Rot. Bonds4

About 2-[[(2S)-2-benzyl-3-oxopiperazin-1-yl]methyl]-6-methyl-1H-quinolin-4-one

2-[[(2S)-2-benzyl-3-oxopiperazin-1-yl]methyl]-6-methyl-1H-quinolin-4-one (PubChem CID 97115671) has the molecular formula C22H23N3O2 and a molecular weight of 361.45 g/mol. Its IUPAC name is 2-[[(2S)-2-benzyl-3-oxopiperazin-1-yl]methyl]-6-methyl-1H-quinolin-4-one.

Molecular Properties

Compound Name2-[[(2S)-2-benzyl-3-oxopiperazin-1-yl]methyl]-6-methyl-1H-quinolin-4-one
PubChem CID97115671
Molecular FormulaC22H23N3O2
Molecular Weight361.45 g/mol
Exact Mass361.18
IUPAC Name2-[[(2S)-2-benzyl-3-oxopiperazin-1-yl]methyl]-6-methyl-1H-quinolin-4-one
SMILESCc1ccc2[nH]c(CN3CCNC(=O)[C@@H]3Cc3ccccc3)cc(=O)c2c1
InChIInChI=1S/C22H23N3O2/c1-15-7-8-19-18(11-15)21(26)13-17(24-19)14-25-10-9-23-22(27)20(25)12-16-5-3-2-4-6-16/h2-8,11,13,20H,9-10,12,14H2,1H3,(H,23,27)(H,24,26)/t20-/m0/s1
InChIKeyZGYSBWROJIGTMJ-FQEVSTJZSA-N
XLogP2.38
TPSA65.20 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500361.45
LogP ≤ 52.38
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Analyze 2-[[(2S)-2-benzyl-3-oxopiperazin-1-yl]methyl]-6-methyl-1H-quinolin-4-one with MolForge

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Related Compounds

2-[[(2S)-2-(aminomethyl)piperidin-1-yl]methyl]-6-methyl-1H-quinolin-4-one
CID 97132129
2-[[(2S)-2-(2-hydroxyethyl)-3-oxopiperazin-1-yl]methyl]-6,8-dimethyl-1H-quinolin-4-one
CID 125165953
(3S)-3-benzyl-4-[(2-chloro-3,4-dimethoxyphenyl)methyl]piperazin-2-one
CID 77094113
(3S)-3-benzyl-4-(3-methylsulfanylpropyl)piperazin-2-one
CID 77091485
3-benzyl-4-ethyl-1,4-diazepan-2-one
CID 146122720
6-methyl-2-[(4-methylsulfonylpiperazin-1-yl)methyl]-1H-quinolin-4-one
CID 72879344
6-methyl-2-[[(1R,6S)-9-methyl-3,9-diazabicyclo[4.2.1]nonan-3-yl]methyl]-1H-quinolin-4-one
CID 72848669
6-methyl-2-[[4-[(2-methylimidazol-1-yl)methyl]piperidin-1-yl]methyl]-1H-quinolin-4-one
CID 72894201
2-[(4-hydroxy-3,4-dihydro-1H-isoquinolin-2-yl)methyl]-6-methyl-1H-quinolin-4-one
CID 72936620
(3R)-3-benzyl-4-(2-fluoro-4-methylbenzoyl)piperazin-2-one
CID 29182015
2-[[(4S)-4-hydroxy-3,4-dihydro-1H-isoquinolin-2-yl]methyl]-6-methyl-1H-quinolin-4-one
CID 97154666
2-[[(3R,4S)-3,4-dihydroxy-4-methylpiperidin-1-yl]methyl]-6-methyl-1H-quinolin-4-one
CID 133124192

Frequently Asked Questions

What is the IUPAC name of 2-[[(2S)-2-benzyl-3-oxopiperazin-1-yl]methyl]-6-methyl-1H-quinolin-4-one?
The IUPAC name of 2-[[(2S)-2-benzyl-3-oxopiperazin-1-yl]methyl]-6-methyl-1H-quinolin-4-one (CID 97115671) is 2-[[(2S)-2-benzyl-3-oxopiperazin-1-yl]methyl]-6-methyl-1H-quinolin-4-one.
What is the SMILES notation for 2-[[(2S)-2-benzyl-3-oxopiperazin-1-yl]methyl]-6-methyl-1H-quinolin-4-one?
The canonical SMILES for 2-[[(2S)-2-benzyl-3-oxopiperazin-1-yl]methyl]-6-methyl-1H-quinolin-4-one is Cc1ccc2[nH]c(CN3CCNC(=O)[C@@H]3Cc3ccccc3)cc(=O)c2c1.
What is the InChIKey of 2-[[(2S)-2-benzyl-3-oxopiperazin-1-yl]methyl]-6-methyl-1H-quinolin-4-one?
The InChIKey is ZGYSBWROJIGTMJ-FQEVSTJZSA-N. The full InChI is InChI=1S/C22H23N3O2/c1-15-7-8-19-18(11-15)21(26)13-17(24-19)14-25-10-9-23-22(27)20(25)12-16-5-3-2-4-6-16/h2-8,11,13,20H,9-10,12,14H2,1H3,(H,23,27)(H,24,26)/t20-/m0/s1.
What are the key properties of 2-[[(2S)-2-benzyl-3-oxopiperazin-1-yl]methyl]-6-methyl-1H-quinolin-4-one?
2-[[(2S)-2-benzyl-3-oxopiperazin-1-yl]methyl]-6-methyl-1H-quinolin-4-one has a molecular weight of 361.45 g/mol, XLogP of 2.38, 4 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[[(2S)-2-benzyl-3-oxopiperazin-1-yl]methyl]-6-methyl-1H-quinolin-4-one is sourced from PubChem (CID 97115671), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).