(3S)-3-methyl-1-(4-phenoxyphenyl)-4-(thiophene-2-carbonyl)piperazin-2-one

C22H20N2O3S — CID 93292450

IUPAC(3S)-3-methyl-1-(4-phenoxyphenyl)-4-(thiophene-2-carbonyl)piperazin-2-one
SMILESC[C@H]1C(=O)N(c2ccc(Oc3ccccc3)cc2)CCN1C(=O)c1cccs1
InChIInChI=1S/C22H20N2O3S/c1-16-21(25)24(14-13-23(16)22(26)20-8-5-15-28-20)17-9-11-19(12-10-17)27-18-6-3-2-4-7-18/h2-12,15-16H,13-14H2,1H3/t16-/m0/s1
InChIKeyIFEAAAQORNCRKC-INIZCTEOSA-N
MW392.48 g/mol
LogP4.42
Rot. Bonds4

About (3S)-3-methyl-1-(4-phenoxyphenyl)-4-(thiophene-2-carbonyl)piperazin-2-one

(3S)-3-methyl-1-(4-phenoxyphenyl)-4-(thiophene-2-carbonyl)piperazin-2-one (PubChem CID 93292450) has the molecular formula C22H20N2O3S and a molecular weight of 392.48 g/mol. Its IUPAC name is (3S)-3-methyl-1-(4-phenoxyphenyl)-4-(thiophene-2-carbonyl)piperazin-2-one.

Molecular Properties

Compound Name(3S)-3-methyl-1-(4-phenoxyphenyl)-4-(thiophene-2-carbonyl)piperazin-2-one
PubChem CID93292450
Molecular FormulaC22H20N2O3S
Molecular Weight392.48 g/mol
Exact Mass392.12
IUPAC Name(3S)-3-methyl-1-(4-phenoxyphenyl)-4-(thiophene-2-carbonyl)piperazin-2-one
SMILESC[C@H]1C(=O)N(c2ccc(Oc3ccccc3)cc2)CCN1C(=O)c1cccs1
InChIInChI=1S/C22H20N2O3S/c1-16-21(25)24(14-13-23(16)22(26)20-8-5-15-28-20)17-9-11-19(12-10-17)27-18-6-3-2-4-7-18/h2-12,15-16H,13-14H2,1H3/t16-/m0/s1
InChIKeyIFEAAAQORNCRKC-INIZCTEOSA-N
XLogP4.42
TPSA49.85 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500392.48
LogP ≤ 54.42
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Related Compounds

(3R)-1-(4-ethoxyphenyl)-3-methyl-4-(thiophene-2-carbonyl)piperazin-2-one
CID 93292435
3-methyl-1-(4-propan-2-ylphenyl)-4-(thiophene-2-carbonyl)piperazin-2-one
CID 24718890
4-(2,6-dimethoxybenzoyl)-3-methyl-1-(4-phenoxyphenyl)piperazin-2-one
CID 42847339
(3S)-4-(3-bromobenzoyl)-3-methyl-1-(4-phenoxyphenyl)piperazin-2-one
CID 93290677
(3R)-1-(2-fluorophenyl)-3-methyl-4-(thiophene-2-carbonyl)piperazin-2-one
CID 93292395
1-(2,3-dimethylphenyl)-3-methyl-4-(thiophene-2-carbonyl)piperazin-2-one
CID 24718943
(3S)-1-(2,3-dimethylphenyl)-3-methyl-4-(thiophene-2-carbonyl)piperazin-2-one
CID 93292626
1-(2,4-dichlorophenyl)-3-methyl-4-(thiophene-2-carbonyl)piperazin-2-one
CID 46036548
(3S)-1-(2-fluoro-5-methylphenyl)-3-methyl-4-(thiophene-2-carbonyl)piperazin-2-one
CID 93292476
(3S)-1-(4-methoxyphenyl)-3-methyl-4-(thiophene-3-carbonyl)piperazin-2-one
CID 96579371
(3S)-3-methyl-4-(thiophene-2-carbonyl)piperazin-2-one
CID 25283897
1-(4-methoxyphenyl)-3-methyl-4-(3-methylbenzoyl)piperazin-2-one
CID 42847321

Frequently Asked Questions

What is the IUPAC name of (3S)-3-methyl-1-(4-phenoxyphenyl)-4-(thiophene-2-carbonyl)piperazin-2-one?
The IUPAC name of (3S)-3-methyl-1-(4-phenoxyphenyl)-4-(thiophene-2-carbonyl)piperazin-2-one (CID 93292450) is (3S)-3-methyl-1-(4-phenoxyphenyl)-4-(thiophene-2-carbonyl)piperazin-2-one.
What is the SMILES notation for (3S)-3-methyl-1-(4-phenoxyphenyl)-4-(thiophene-2-carbonyl)piperazin-2-one?
The canonical SMILES for (3S)-3-methyl-1-(4-phenoxyphenyl)-4-(thiophene-2-carbonyl)piperazin-2-one is C[C@H]1C(=O)N(c2ccc(Oc3ccccc3)cc2)CCN1C(=O)c1cccs1.
What is the InChIKey of (3S)-3-methyl-1-(4-phenoxyphenyl)-4-(thiophene-2-carbonyl)piperazin-2-one?
The InChIKey is IFEAAAQORNCRKC-INIZCTEOSA-N. The full InChI is InChI=1S/C22H20N2O3S/c1-16-21(25)24(14-13-23(16)22(26)20-8-5-15-28-20)17-9-11-19(12-10-17)27-18-6-3-2-4-7-18/h2-12,15-16H,13-14H2,1H3/t16-/m0/s1.
What are the key properties of (3S)-3-methyl-1-(4-phenoxyphenyl)-4-(thiophene-2-carbonyl)piperazin-2-one?
(3S)-3-methyl-1-(4-phenoxyphenyl)-4-(thiophene-2-carbonyl)piperazin-2-one has a molecular weight of 392.48 g/mol, XLogP of 4.42, 4 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (3S)-3-methyl-1-(4-phenoxyphenyl)-4-(thiophene-2-carbonyl)piperazin-2-one is sourced from PubChem (CID 93292450), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).