(2R)-4-(4-methoxyphenyl)-2-methyl-N-[(5-methylthiophen-2-yl)methyl]-3-oxopiperazine-1-carboxamide

C19H23N3O3S — CID 126434996

IUPAC(2R)-4-(4-methoxyphenyl)-2-methyl-N-[(5-methylthiophen-2-yl)methyl]-3-oxopiperazine-1-carboxamide
SMILESCOc1ccc(N2CCN(C(=O)NCc3ccc(C)s3)[C@H](C)C2=O)cc1
InChIInChI=1S/C19H23N3O3S/c1-13-4-9-17(26-13)12-20-19(24)21-10-11-22(18(23)14(21)2)15-5-7-16(25-3)8-6-15/h4-9,14H,10-12H2,1-3H3,(H,20,24)/t14-/m1/s1
InChIKeyARSPVDWYBYXSPM-CQSZACIVSA-N
MW373.48 g/mol
LogP3.01
Rot. Bonds4

About (2R)-4-(4-methoxyphenyl)-2-methyl-N-[(5-methylthiophen-2-yl)methyl]-3-oxopiperazine-1-carboxamide

(2R)-4-(4-methoxyphenyl)-2-methyl-N-[(5-methylthiophen-2-yl)methyl]-3-oxopiperazine-1-carboxamide (PubChem CID 126434996) has the molecular formula C19H23N3O3S and a molecular weight of 373.48 g/mol. Its IUPAC name is (2R)-4-(4-methoxyphenyl)-2-methyl-N-[(5-methylthiophen-2-yl)methyl]-3-oxopiperazine-1-carboxamide.

Molecular Properties

Compound Name(2R)-4-(4-methoxyphenyl)-2-methyl-N-[(5-methylthiophen-2-yl)methyl]-3-oxopiperazine-1-carboxamide
PubChem CID126434996
Molecular FormulaC19H23N3O3S
Molecular Weight373.48 g/mol
Exact Mass373.15
IUPAC Name(2R)-4-(4-methoxyphenyl)-2-methyl-N-[(5-methylthiophen-2-yl)methyl]-3-oxopiperazine-1-carboxamide
SMILESCOc1ccc(N2CCN(C(=O)NCc3ccc(C)s3)[C@H](C)C2=O)cc1
InChIInChI=1S/C19H23N3O3S/c1-13-4-9-17(26-13)12-20-19(24)21-10-11-22(18(23)14(21)2)15-5-7-16(25-3)8-6-15/h4-9,14H,10-12H2,1-3H3,(H,20,24)/t14-/m1/s1
InChIKeyARSPVDWYBYXSPM-CQSZACIVSA-N
XLogP3.01
TPSA61.88 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500373.48
LogP ≤ 53.01
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Analyze (2R)-4-(4-methoxyphenyl)-2-methyl-N-[(5-methylthiophen-2-yl)methyl]-3-oxopiperazine-1-carboxamide with MolForge

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Related Compounds

(2S)-4-(4-methoxyphenyl)-2-methyl-N-[2-(5-methylfuran-2-yl)ethyl]-3-oxopiperazine-1-carboxamide
CID 126430620
(2R)-4-(4-methoxyphenyl)-2-methyl-N-(4-methylphenyl)-3-oxopiperazine-1-carboxamide
CID 93290901
(3S)-4-[2-(2-methoxyethoxy)acetyl]-1-(4-methoxyphenyl)-3-methylpiperazin-2-one
CID 97133156
1-(4-methoxyphenyl)-3-methyl-4-(3-morpholin-4-ylpropanoyl)piperazin-2-one
CID 70744346
(3S)-1-(4-methoxyphenyl)-3-methyl-4-(thiophene-3-carbonyl)piperazin-2-one
CID 96579371
1-(4-methoxyphenyl)-3-methyl-4-(3-methylbenzoyl)piperazin-2-one
CID 42847321
(3S)-4-(5-chloro-2-methylbenzoyl)-1-(4-methoxyphenyl)-3-methylpiperazin-2-one
CID 97135197
1-(4-methoxyphenyl)-3-methyl-4-[(2S)-pyrrolidine-2-carbonyl]piperazin-2-one
CID 141490582
4-(3-chlorobenzoyl)-1-(4-methoxyphenyl)-3-methylpiperazin-2-one
CID 42847320
1-(3-chloro-4-methylphenyl)-4-(4-methoxybenzoyl)-3-methylpiperazin-2-one
CID 46036453
1-(3,5-dimethoxyphenyl)-4-(2-methoxyacetyl)-3-methylpiperazin-2-one
CID 24716731
(2S,4R)-4-hydroxy-1-[(5-methylthiophen-2-yl)methylcarbamoyl]pyrrolidine-2-carboxylic acid
CID 63842711

Frequently Asked Questions

What is the IUPAC name of (2R)-4-(4-methoxyphenyl)-2-methyl-N-[(5-methylthiophen-2-yl)methyl]-3-oxopiperazine-1-carboxamide?
The IUPAC name of (2R)-4-(4-methoxyphenyl)-2-methyl-N-[(5-methylthiophen-2-yl)methyl]-3-oxopiperazine-1-carboxamide (CID 126434996) is (2R)-4-(4-methoxyphenyl)-2-methyl-N-[(5-methylthiophen-2-yl)methyl]-3-oxopiperazine-1-carboxamide.
What is the SMILES notation for (2R)-4-(4-methoxyphenyl)-2-methyl-N-[(5-methylthiophen-2-yl)methyl]-3-oxopiperazine-1-carboxamide?
The canonical SMILES for (2R)-4-(4-methoxyphenyl)-2-methyl-N-[(5-methylthiophen-2-yl)methyl]-3-oxopiperazine-1-carboxamide is COc1ccc(N2CCN(C(=O)NCc3ccc(C)s3)[C@H](C)C2=O)cc1.
What is the InChIKey of (2R)-4-(4-methoxyphenyl)-2-methyl-N-[(5-methylthiophen-2-yl)methyl]-3-oxopiperazine-1-carboxamide?
The InChIKey is ARSPVDWYBYXSPM-CQSZACIVSA-N. The full InChI is InChI=1S/C19H23N3O3S/c1-13-4-9-17(26-13)12-20-19(24)21-10-11-22(18(23)14(21)2)15-5-7-16(25-3)8-6-15/h4-9,14H,10-12H2,1-3H3,(H,20,24)/t14-/m1/s1.
What are the key properties of (2R)-4-(4-methoxyphenyl)-2-methyl-N-[(5-methylthiophen-2-yl)methyl]-3-oxopiperazine-1-carboxamide?
(2R)-4-(4-methoxyphenyl)-2-methyl-N-[(5-methylthiophen-2-yl)methyl]-3-oxopiperazine-1-carboxamide has a molecular weight of 373.48 g/mol, XLogP of 3.01, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (2R)-4-(4-methoxyphenyl)-2-methyl-N-[(5-methylthiophen-2-yl)methyl]-3-oxopiperazine-1-carboxamide is sourced from PubChem (CID 126434996), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).