N-[3-[(2R)-2-benzyl-4-(2-methylphenyl)-5-oxopiperazin-1-yl]-3-oxopropyl]acetamide

C23H27N3O3 — CID 96572799

IUPACN-[3-[(2R)-2-benzyl-4-(2-methylphenyl)-5-oxopiperazin-1-yl]-3-oxopropyl]acetamide
SMILESCC(=O)NCCC(=O)N1CC(=O)N(c2ccccc2C)C[C@H]1Cc1ccccc1
InChIInChI=1S/C23H27N3O3/c1-17-8-6-7-11-21(17)26-15-20(14-19-9-4-3-5-10-19)25(16-23(26)29)22(28)12-13-24-18(2)27/h3-11,20H,12-16H2,1-2H3,(H,24,27)/t20-/m1/s1
InChIKeyJTXAYMQAQVMQPA-HXUWFJFHSA-N
MW393.49 g/mol
LogP2.31
Rot. Bonds6

About N-[3-[(2R)-2-benzyl-4-(2-methylphenyl)-5-oxopiperazin-1-yl]-3-oxopropyl]acetamide

N-[3-[(2R)-2-benzyl-4-(2-methylphenyl)-5-oxopiperazin-1-yl]-3-oxopropyl]acetamide (PubChem CID 96572799) has the molecular formula C23H27N3O3 and a molecular weight of 393.49 g/mol. Its IUPAC name is N-[3-[(2R)-2-benzyl-4-(2-methylphenyl)-5-oxopiperazin-1-yl]-3-oxopropyl]acetamide.

Molecular Properties

Compound NameN-[3-[(2R)-2-benzyl-4-(2-methylphenyl)-5-oxopiperazin-1-yl]-3-oxopropyl]acetamide
PubChem CID96572799
Molecular FormulaC23H27N3O3
Molecular Weight393.49 g/mol
Exact Mass393.21
IUPAC NameN-[3-[(2R)-2-benzyl-4-(2-methylphenyl)-5-oxopiperazin-1-yl]-3-oxopropyl]acetamide
SMILESCC(=O)NCCC(=O)N1CC(=O)N(c2ccccc2C)C[C@H]1Cc1ccccc1
InChIInChI=1S/C23H27N3O3/c1-17-8-6-7-11-21(17)26-15-20(14-19-9-4-3-5-10-19)25(16-23(26)29)22(28)12-13-24-18(2)27/h3-11,20H,12-16H2,1-2H3,(H,24,27)/t20-/m1/s1
InChIKeyJTXAYMQAQVMQPA-HXUWFJFHSA-N
XLogP2.31
TPSA69.72 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500393.49
LogP ≤ 52.31
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of N-[3-[(2R)-2-benzyl-4-(2-methylphenyl)-5-oxopiperazin-1-yl]-3-oxopropyl]acetamide?
The IUPAC name of N-[3-[(2R)-2-benzyl-4-(2-methylphenyl)-5-oxopiperazin-1-yl]-3-oxopropyl]acetamide (CID 96572799) is N-[3-[(2R)-2-benzyl-4-(2-methylphenyl)-5-oxopiperazin-1-yl]-3-oxopropyl]acetamide.
What is the SMILES notation for N-[3-[(2R)-2-benzyl-4-(2-methylphenyl)-5-oxopiperazin-1-yl]-3-oxopropyl]acetamide?
The canonical SMILES for N-[3-[(2R)-2-benzyl-4-(2-methylphenyl)-5-oxopiperazin-1-yl]-3-oxopropyl]acetamide is CC(=O)NCCC(=O)N1CC(=O)N(c2ccccc2C)C[C@H]1Cc1ccccc1.
What is the InChIKey of N-[3-[(2R)-2-benzyl-4-(2-methylphenyl)-5-oxopiperazin-1-yl]-3-oxopropyl]acetamide?
The InChIKey is JTXAYMQAQVMQPA-HXUWFJFHSA-N. The full InChI is InChI=1S/C23H27N3O3/c1-17-8-6-7-11-21(17)26-15-20(14-19-9-4-3-5-10-19)25(16-23(26)29)22(28)12-13-24-18(2)27/h3-11,20H,12-16H2,1-2H3,(H,24,27)/t20-/m1/s1.
What are the key properties of N-[3-[(2R)-2-benzyl-4-(2-methylphenyl)-5-oxopiperazin-1-yl]-3-oxopropyl]acetamide?
N-[3-[(2R)-2-benzyl-4-(2-methylphenyl)-5-oxopiperazin-1-yl]-3-oxopropyl]acetamide has a molecular weight of 393.49 g/mol, XLogP of 2.31, 6 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[3-[(2R)-2-benzyl-4-(2-methylphenyl)-5-oxopiperazin-1-yl]-3-oxopropyl]acetamide is sourced from PubChem (CID 96572799), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).