(3S)-4-(2-chlorobenzoyl)-3-methylpiperazin-2-one

C12H13ClN2O2 — CID 25283883

IUPAC(3S)-4-(2-chlorobenzoyl)-3-methylpiperazin-2-one
SMILESC[C@H]1C(=O)NCCN1C(=O)c1ccccc1Cl
InChIInChI=1S/C12H13ClN2O2/c1-8-11(16)14-6-7-15(8)12(17)9-4-2-3-5-10(9)13/h2-5,8H,6-7H2,1H3,(H,14,16)/t8-/m0/s1
InChIKeyFROFZMBCCUVSHU-QMMMGPOBSA-N
MW252.70 g/mol
LogP1.30
Rot. Bonds1

About (3S)-4-(2-chlorobenzoyl)-3-methylpiperazin-2-one

(3S)-4-(2-chlorobenzoyl)-3-methylpiperazin-2-one (PubChem CID 25283883) has the molecular formula C12H13ClN2O2 and a molecular weight of 252.70 g/mol. Its IUPAC name is (3S)-4-(2-chlorobenzoyl)-3-methylpiperazin-2-one.

Molecular Properties

Compound Name(3S)-4-(2-chlorobenzoyl)-3-methylpiperazin-2-one
PubChem CID25283883
Molecular FormulaC12H13ClN2O2
Molecular Weight252.70 g/mol
Exact Mass252.07
IUPAC Name(3S)-4-(2-chlorobenzoyl)-3-methylpiperazin-2-one
SMILESC[C@H]1C(=O)NCCN1C(=O)c1ccccc1Cl
InChIInChI=1S/C12H13ClN2O2/c1-8-11(16)14-6-7-15(8)12(17)9-4-2-3-5-10(9)13/h2-5,8H,6-7H2,1H3,(H,14,16)/t8-/m0/s1
InChIKeyFROFZMBCCUVSHU-QMMMGPOBSA-N
XLogP1.30
TPSA49.41 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500252.70
LogP ≤ 51.30
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

4-(2,3-difluorobenzoyl)-3-methylpiperazin-2-one
CID 63373788
4-(2-chlorothiophene-3-carbonyl)-3-methylpiperazin-2-one
CID 171677198
4-(4-chloro-2-methylbenzoyl)-3-methylpiperazin-2-one
CID 103779351
4-(3,5-dichloro-2-iodobenzoyl)-3-methylpiperazin-2-one
CID 63606222
4-(1-aminoisoquinoline-4-carbonyl)-3-methylpiperazin-2-one
CID 106771878
3-methyl-4-(2-prop-2-enoxybenzoyl)piperazin-2-one
CID 63606558
(3R)-3-methyl-4-(4-phenylbenzoyl)piperazin-2-one
CID 25283888
4-(2-methyl-3-oxopiperazine-1-carbonyl)-1H-quinolin-2-one
CID 63606060
3-methyl-4-(2-methylfuran-3-carbonyl)piperazin-2-one
CID 63373484
4-(4-chloro-2-nitrobenzoyl)-3-methylpiperazin-2-one
CID 63080255
(3S)-3-methyl-4-(thiophene-2-carbonyl)piperazin-2-one
CID 25283897
(3S)-4-(4-benzylbenzoyl)-3-methylpiperazin-2-one
CID 25283951

Frequently Asked Questions

What is the IUPAC name of (3S)-4-(2-chlorobenzoyl)-3-methylpiperazin-2-one?
The IUPAC name of (3S)-4-(2-chlorobenzoyl)-3-methylpiperazin-2-one (CID 25283883) is (3S)-4-(2-chlorobenzoyl)-3-methylpiperazin-2-one.
What is the SMILES notation for (3S)-4-(2-chlorobenzoyl)-3-methylpiperazin-2-one?
The canonical SMILES for (3S)-4-(2-chlorobenzoyl)-3-methylpiperazin-2-one is C[C@H]1C(=O)NCCN1C(=O)c1ccccc1Cl.
What is the InChIKey of (3S)-4-(2-chlorobenzoyl)-3-methylpiperazin-2-one?
The InChIKey is FROFZMBCCUVSHU-QMMMGPOBSA-N. The full InChI is InChI=1S/C12H13ClN2O2/c1-8-11(16)14-6-7-15(8)12(17)9-4-2-3-5-10(9)13/h2-5,8H,6-7H2,1H3,(H,14,16)/t8-/m0/s1.
What are the key properties of (3S)-4-(2-chlorobenzoyl)-3-methylpiperazin-2-one?
(3S)-4-(2-chlorobenzoyl)-3-methylpiperazin-2-one has a molecular weight of 252.70 g/mol, XLogP of 1.30, 1 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (3S)-4-(2-chlorobenzoyl)-3-methylpiperazin-2-one is sourced from PubChem (CID 25283883), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).