(3S)-3-(2-hydroxyethyl)-4-(4-methoxy-3,5-dimethylbenzoyl)piperazin-2-one

C16H22N2O4 — CID 95200368

IUPAC(3S)-3-(2-hydroxyethyl)-4-(4-methoxy-3,5-dimethylbenzoyl)piperazin-2-one
SMILESCOc1c(C)cc(C(=O)N2CCNC(=O)[C@@H]2CCO)cc1C
InChIInChI=1S/C16H22N2O4/c1-10-8-12(9-11(2)14(10)22-3)16(21)18-6-5-17-15(20)13(18)4-7-19/h8-9,13,19H,4-7H2,1-3H3,(H,17,20)/t13-/m0/s1
InChIKeyRQXOPMNLVSYCAL-ZDUSSCGKSA-N
MW306.36 g/mol
LogP0.64
Rot. Bonds4

About (3S)-3-(2-hydroxyethyl)-4-(4-methoxy-3,5-dimethylbenzoyl)piperazin-2-one

(3S)-3-(2-hydroxyethyl)-4-(4-methoxy-3,5-dimethylbenzoyl)piperazin-2-one (PubChem CID 95200368) has the molecular formula C16H22N2O4 and a molecular weight of 306.36 g/mol. Its IUPAC name is (3S)-3-(2-hydroxyethyl)-4-(4-methoxy-3,5-dimethylbenzoyl)piperazin-2-one.

Molecular Properties

Compound Name(3S)-3-(2-hydroxyethyl)-4-(4-methoxy-3,5-dimethylbenzoyl)piperazin-2-one
PubChem CID95200368
Molecular FormulaC16H22N2O4
Molecular Weight306.36 g/mol
Exact Mass306.16
IUPAC Name(3S)-3-(2-hydroxyethyl)-4-(4-methoxy-3,5-dimethylbenzoyl)piperazin-2-one
SMILESCOc1c(C)cc(C(=O)N2CCNC(=O)[C@@H]2CCO)cc1C
InChIInChI=1S/C16H22N2O4/c1-10-8-12(9-11(2)14(10)22-3)16(21)18-6-5-17-15(20)13(18)4-7-19/h8-9,13,19H,4-7H2,1-3H3,(H,17,20)/t13-/m0/s1
InChIKeyRQXOPMNLVSYCAL-ZDUSSCGKSA-N
XLogP0.64
TPSA78.87 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500306.36
LogP ≤ 50.64
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

(3R)-4-(2-chloro-3-methylbenzoyl)-3-(2-hydroxyethyl)piperazin-2-one
CID 29256098
4-[3-[2-(2-hydroxyethyl)-3-oxopiperazine-1-carbonyl]phenyl]-3-methylbenzonitrile
CID 118770180
(3R)-4-[3-(2-chlorophenyl)benzoyl]-3-(2-hydroxyethyl)piperazin-2-one
CID 125170757
methyl 2-[1-(3-chloro-4,5-dimethoxybenzoyl)-3-oxopiperazin-2-yl]acetate
CID 43011903
4-[4-(1,5-dimethylpyrazol-4-yl)benzoyl]-3-(2-hydroxyethyl)piperazin-2-one
CID 122565613
2-[1-(4-methoxybenzoyl)-3-oxopiperazin-2-yl]acetic acid
CID 62032410
(2R)-N-(3-chloro-2,6-dimethylphenyl)-2-(2-hydroxyethyl)-3-oxopiperazine-1-carboxamide
CID 97437593
(3R)-3-(2-hydroxyethyl)-4-[4-(2-propan-2-ylphenyl)benzoyl]piperazin-2-one
CID 126437724
(3S)-3-(2-hydroxyethyl)-4-[4-(2-methyl-6-propylpyrimidin-4-yl)benzoyl]piperazin-2-one
CID 125441883
methyl 2-[(2R)-1-(3,5-dichlorobenzoyl)-3-oxopiperazin-2-yl]acetate
CID 2431498
4-(4,6-dimethyl-1H-indole-2-carbonyl)-3-propylpiperazin-2-one
CID 138996495
2-[1-(3,4-dimethylbenzoyl)-3-oxopiperazin-2-yl]-N-(4-methoxyphenyl)acetamide
CID 2813215

Frequently Asked Questions

What is the IUPAC name of (3S)-3-(2-hydroxyethyl)-4-(4-methoxy-3,5-dimethylbenzoyl)piperazin-2-one?
The IUPAC name of (3S)-3-(2-hydroxyethyl)-4-(4-methoxy-3,5-dimethylbenzoyl)piperazin-2-one (CID 95200368) is (3S)-3-(2-hydroxyethyl)-4-(4-methoxy-3,5-dimethylbenzoyl)piperazin-2-one.
What is the SMILES notation for (3S)-3-(2-hydroxyethyl)-4-(4-methoxy-3,5-dimethylbenzoyl)piperazin-2-one?
The canonical SMILES for (3S)-3-(2-hydroxyethyl)-4-(4-methoxy-3,5-dimethylbenzoyl)piperazin-2-one is COc1c(C)cc(C(=O)N2CCNC(=O)[C@@H]2CCO)cc1C.
What is the InChIKey of (3S)-3-(2-hydroxyethyl)-4-(4-methoxy-3,5-dimethylbenzoyl)piperazin-2-one?
The InChIKey is RQXOPMNLVSYCAL-ZDUSSCGKSA-N. The full InChI is InChI=1S/C16H22N2O4/c1-10-8-12(9-11(2)14(10)22-3)16(21)18-6-5-17-15(20)13(18)4-7-19/h8-9,13,19H,4-7H2,1-3H3,(H,17,20)/t13-/m0/s1.
What are the key properties of (3S)-3-(2-hydroxyethyl)-4-(4-methoxy-3,5-dimethylbenzoyl)piperazin-2-one?
(3S)-3-(2-hydroxyethyl)-4-(4-methoxy-3,5-dimethylbenzoyl)piperazin-2-one has a molecular weight of 306.36 g/mol, XLogP of 0.64, 4 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (3S)-3-(2-hydroxyethyl)-4-(4-methoxy-3,5-dimethylbenzoyl)piperazin-2-one is sourced from PubChem (CID 95200368), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).