2-[1-[(2-methoxyphenyl)methyl]-3-oxopiperazin-2-yl]-N-methyl-N-[(4-methyl-1,3-thiazol-2-yl)methyl]acetamide

C20H26N4O3S — CID 24791416

IUPAC2-[1-[(2-methoxyphenyl)methyl]-3-oxopiperazin-2-yl]-N-methyl-N-[(4-methyl-1,3-thiazol-2-yl)methyl]acetamide
SMILESCOc1ccccc1CN1CCNC(=O)C1CC(=O)N(C)Cc1nc(C)cs1
InChIInChI=1S/C20H26N4O3S/c1-14-13-28-18(22-14)12-23(2)19(25)10-16-20(26)21-8-9-24(16)11-15-6-4-5-7-17(15)27-3/h4-7,13,16H,8-12H2,1-3H3,(H,21,26)
InChIKeyCPQSEVVIWPWZIL-UHFFFAOYSA-N
MW402.52 g/mol
LogP1.81
Rot. Bonds7

About 2-[1-[(2-methoxyphenyl)methyl]-3-oxopiperazin-2-yl]-N-methyl-N-[(4-methyl-1,3-thiazol-2-yl)methyl]acetamide

2-[1-[(2-methoxyphenyl)methyl]-3-oxopiperazin-2-yl]-N-methyl-N-[(4-methyl-1,3-thiazol-2-yl)methyl]acetamide (PubChem CID 24791416) has the molecular formula C20H26N4O3S and a molecular weight of 402.52 g/mol. Its IUPAC name is 2-[1-[(2-methoxyphenyl)methyl]-3-oxopiperazin-2-yl]-N-methyl-N-[(4-methyl-1,3-thiazol-2-yl)methyl]acetamide.

Molecular Properties

Compound Name2-[1-[(2-methoxyphenyl)methyl]-3-oxopiperazin-2-yl]-N-methyl-N-[(4-methyl-1,3-thiazol-2-yl)methyl]acetamide
PubChem CID24791416
Molecular FormulaC20H26N4O3S
Molecular Weight402.52 g/mol
Exact Mass402.17
IUPAC Name2-[1-[(2-methoxyphenyl)methyl]-3-oxopiperazin-2-yl]-N-methyl-N-[(4-methyl-1,3-thiazol-2-yl)methyl]acetamide
SMILESCOc1ccccc1CN1CCNC(=O)C1CC(=O)N(C)Cc1nc(C)cs1
InChIInChI=1S/C20H26N4O3S/c1-14-13-28-18(22-14)12-23(2)19(25)10-16-20(26)21-8-9-24(16)11-15-6-4-5-7-17(15)27-3/h4-7,13,16H,8-12H2,1-3H3,(H,21,26)
InChIKeyCPQSEVVIWPWZIL-UHFFFAOYSA-N
XLogP1.81
TPSA74.77 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds7
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500402.52
LogP ≤ 51.81
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of 2-[1-[(2-methoxyphenyl)methyl]-3-oxopiperazin-2-yl]-N-methyl-N-[(4-methyl-1,3-thiazol-2-yl)methyl]acetamide?
The IUPAC name of 2-[1-[(2-methoxyphenyl)methyl]-3-oxopiperazin-2-yl]-N-methyl-N-[(4-methyl-1,3-thiazol-2-yl)methyl]acetamide (CID 24791416) is 2-[1-[(2-methoxyphenyl)methyl]-3-oxopiperazin-2-yl]-N-methyl-N-[(4-methyl-1,3-thiazol-2-yl)methyl]acetamide.
What is the SMILES notation for 2-[1-[(2-methoxyphenyl)methyl]-3-oxopiperazin-2-yl]-N-methyl-N-[(4-methyl-1,3-thiazol-2-yl)methyl]acetamide?
The canonical SMILES for 2-[1-[(2-methoxyphenyl)methyl]-3-oxopiperazin-2-yl]-N-methyl-N-[(4-methyl-1,3-thiazol-2-yl)methyl]acetamide is COc1ccccc1CN1CCNC(=O)C1CC(=O)N(C)Cc1nc(C)cs1.
What is the InChIKey of 2-[1-[(2-methoxyphenyl)methyl]-3-oxopiperazin-2-yl]-N-methyl-N-[(4-methyl-1,3-thiazol-2-yl)methyl]acetamide?
The InChIKey is CPQSEVVIWPWZIL-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H26N4O3S/c1-14-13-28-18(22-14)12-23(2)19(25)10-16-20(26)21-8-9-24(16)11-15-6-4-5-7-17(15)27-3/h4-7,13,16H,8-12H2,1-3H3,(H,21,26).
What are the key properties of 2-[1-[(2-methoxyphenyl)methyl]-3-oxopiperazin-2-yl]-N-methyl-N-[(4-methyl-1,3-thiazol-2-yl)methyl]acetamide?
2-[1-[(2-methoxyphenyl)methyl]-3-oxopiperazin-2-yl]-N-methyl-N-[(4-methyl-1,3-thiazol-2-yl)methyl]acetamide has a molecular weight of 402.52 g/mol, XLogP of 1.81, 7 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[1-[(2-methoxyphenyl)methyl]-3-oxopiperazin-2-yl]-N-methyl-N-[(4-methyl-1,3-thiazol-2-yl)methyl]acetamide is sourced from PubChem (CID 24791416), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).