N-methyl-2-[1-[(4-methylphenyl)methyl]-3-oxopiperazin-2-yl]-N-(oxan-4-yl)acetamide

C20H29N3O3 — CID 24819198

IUPACN-methyl-2-[1-[(4-methylphenyl)methyl]-3-oxopiperazin-2-yl]-N-(oxan-4-yl)acetamide
SMILESCc1ccc(CN2CCNC(=O)C2CC(=O)N(C)C2CCOCC2)cc1
InChIInChI=1S/C20H29N3O3/c1-15-3-5-16(6-4-15)14-23-10-9-21-20(25)18(23)13-19(24)22(2)17-7-11-26-12-8-17/h3-6,17-18H,7-14H2,1-2H3,(H,21,25)
InChIKeyUKPGEUUJVOQSSO-UHFFFAOYSA-N
MW359.47 g/mol
LogP1.32
Rot. Bonds5

About N-methyl-2-[1-[(4-methylphenyl)methyl]-3-oxopiperazin-2-yl]-N-(oxan-4-yl)acetamide

N-methyl-2-[1-[(4-methylphenyl)methyl]-3-oxopiperazin-2-yl]-N-(oxan-4-yl)acetamide (PubChem CID 24819198) has the molecular formula C20H29N3O3 and a molecular weight of 359.47 g/mol. Its IUPAC name is N-methyl-2-[1-[(4-methylphenyl)methyl]-3-oxopiperazin-2-yl]-N-(oxan-4-yl)acetamide.

Molecular Properties

Compound NameN-methyl-2-[1-[(4-methylphenyl)methyl]-3-oxopiperazin-2-yl]-N-(oxan-4-yl)acetamide
PubChem CID24819198
Molecular FormulaC20H29N3O3
Molecular Weight359.47 g/mol
Exact Mass359.22
IUPAC NameN-methyl-2-[1-[(4-methylphenyl)methyl]-3-oxopiperazin-2-yl]-N-(oxan-4-yl)acetamide
SMILESCc1ccc(CN2CCNC(=O)C2CC(=O)N(C)C2CCOCC2)cc1
InChIInChI=1S/C20H29N3O3/c1-15-3-5-16(6-4-15)14-23-10-9-21-20(25)18(23)13-19(24)22(2)17-7-11-26-12-8-17/h3-6,17-18H,7-14H2,1-2H3,(H,21,25)
InChIKeyUKPGEUUJVOQSSO-UHFFFAOYSA-N
XLogP1.32
TPSA61.88 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500359.47
LogP ≤ 51.32
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of N-methyl-2-[1-[(4-methylphenyl)methyl]-3-oxopiperazin-2-yl]-N-(oxan-4-yl)acetamide?
The IUPAC name of N-methyl-2-[1-[(4-methylphenyl)methyl]-3-oxopiperazin-2-yl]-N-(oxan-4-yl)acetamide (CID 24819198) is N-methyl-2-[1-[(4-methylphenyl)methyl]-3-oxopiperazin-2-yl]-N-(oxan-4-yl)acetamide.
What is the SMILES notation for N-methyl-2-[1-[(4-methylphenyl)methyl]-3-oxopiperazin-2-yl]-N-(oxan-4-yl)acetamide?
The canonical SMILES for N-methyl-2-[1-[(4-methylphenyl)methyl]-3-oxopiperazin-2-yl]-N-(oxan-4-yl)acetamide is Cc1ccc(CN2CCNC(=O)C2CC(=O)N(C)C2CCOCC2)cc1.
What is the InChIKey of N-methyl-2-[1-[(4-methylphenyl)methyl]-3-oxopiperazin-2-yl]-N-(oxan-4-yl)acetamide?
The InChIKey is UKPGEUUJVOQSSO-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H29N3O3/c1-15-3-5-16(6-4-15)14-23-10-9-21-20(25)18(23)13-19(24)22(2)17-7-11-26-12-8-17/h3-6,17-18H,7-14H2,1-2H3,(H,21,25).
What are the key properties of N-methyl-2-[1-[(4-methylphenyl)methyl]-3-oxopiperazin-2-yl]-N-(oxan-4-yl)acetamide?
N-methyl-2-[1-[(4-methylphenyl)methyl]-3-oxopiperazin-2-yl]-N-(oxan-4-yl)acetamide has a molecular weight of 359.47 g/mol, XLogP of 1.32, 5 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-methyl-2-[1-[(4-methylphenyl)methyl]-3-oxopiperazin-2-yl]-N-(oxan-4-yl)acetamide is sourced from PubChem (CID 24819198), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).