N-[3-(2-methylpropoxy)phenyl]-2-(3-oxopiperazin-2-yl)acetamide

C16H23N3O3 — CID 54794746

IUPACN-[3-(2-methylpropoxy)phenyl]-2-(3-oxopiperazin-2-yl)acetamide
SMILESCC(C)COc1cccc(NC(=O)CC2NCCNC2=O)c1
InChIInChI=1S/C16H23N3O3/c1-11(2)10-22-13-5-3-4-12(8-13)19-15(20)9-14-16(21)18-7-6-17-14/h3-5,8,11,14,17H,6-7,9-10H2,1-2H3,(H,18,21)(H,19,20)
InChIKeyOWHSYDPJRWEGMI-UHFFFAOYSA-N
MW305.38 g/mol
LogP1.14
Rot. Bonds6

About N-[3-(2-methylpropoxy)phenyl]-2-(3-oxopiperazin-2-yl)acetamide

N-[3-(2-methylpropoxy)phenyl]-2-(3-oxopiperazin-2-yl)acetamide (PubChem CID 54794746) has the molecular formula C16H23N3O3 and a molecular weight of 305.38 g/mol. Its IUPAC name is N-[3-(2-methylpropoxy)phenyl]-2-(3-oxopiperazin-2-yl)acetamide.

Molecular Properties

Compound NameN-[3-(2-methylpropoxy)phenyl]-2-(3-oxopiperazin-2-yl)acetamide
PubChem CID54794746
Molecular FormulaC16H23N3O3
Molecular Weight305.38 g/mol
Exact Mass305.17
IUPAC NameN-[3-(2-methylpropoxy)phenyl]-2-(3-oxopiperazin-2-yl)acetamide
SMILESCC(C)COc1cccc(NC(=O)CC2NCCNC2=O)c1
InChIInChI=1S/C16H23N3O3/c1-11(2)10-22-13-5-3-4-12(8-13)19-15(20)9-14-16(21)18-7-6-17-14/h3-5,8,11,14,17H,6-7,9-10H2,1-2H3,(H,18,21)(H,19,20)
InChIKeyOWHSYDPJRWEGMI-UHFFFAOYSA-N
XLogP1.14
TPSA79.46 Ų
H-Bond Donors3
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500305.38
LogP ≤ 51.14
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 104

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Related Compounds

2-(3-oxopiperazin-2-yl)-N-[3-(2-phenoxyethoxy)phenyl]acetamide
CID 54794685
N-(3-heptoxyphenyl)-2-(3-oxopiperazin-2-yl)acetamide
CID 54794634
2-(3-oxopiperazin-2-yl)-N-[3-[(2-phenoxyacetyl)amino]phenyl]acetamide
CID 54794666
N-[3-(2-methylpropoxy)phenyl]-2-piperidin-4-ylacetamide
CID 61030317
2-[(2R)-3-oxopiperazin-2-yl]-N-phenylacetamide
CID 940556
3-[3-(2-methylpropoxy)anilino]-3-oxopropanoic acid
CID 62230040
N-[3-(2-methylpropoxy)phenyl]acetamide
CID 23343374
1,3-bis[3-(2-methylpropoxy)phenyl]urea
CID 17170442
propyl 2-[1-[2-[3-(2-methylpropoxy)anilino]-2-oxoethyl]-3-oxopiperazin-2-yl]acetate
CID 54819855
N-[3-(2-methylpropoxy)phenyl]piperidine-2-carboxamide
CID 60927108
N-(4-methylphenyl)-2-[(2R)-3-oxopiperazin-2-yl]acetamide
CID 941045
methyl 4-[3-(2-methylpropoxy)anilino]-4-oxobutanoate
CID 17079568

Frequently Asked Questions

What is the IUPAC name of N-[3-(2-methylpropoxy)phenyl]-2-(3-oxopiperazin-2-yl)acetamide?
The IUPAC name of N-[3-(2-methylpropoxy)phenyl]-2-(3-oxopiperazin-2-yl)acetamide (CID 54794746) is N-[3-(2-methylpropoxy)phenyl]-2-(3-oxopiperazin-2-yl)acetamide.
What is the SMILES notation for N-[3-(2-methylpropoxy)phenyl]-2-(3-oxopiperazin-2-yl)acetamide?
The canonical SMILES for N-[3-(2-methylpropoxy)phenyl]-2-(3-oxopiperazin-2-yl)acetamide is CC(C)COc1cccc(NC(=O)CC2NCCNC2=O)c1.
What is the InChIKey of N-[3-(2-methylpropoxy)phenyl]-2-(3-oxopiperazin-2-yl)acetamide?
The InChIKey is OWHSYDPJRWEGMI-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H23N3O3/c1-11(2)10-22-13-5-3-4-12(8-13)19-15(20)9-14-16(21)18-7-6-17-14/h3-5,8,11,14,17H,6-7,9-10H2,1-2H3,(H,18,21)(H,19,20).
What are the key properties of N-[3-(2-methylpropoxy)phenyl]-2-(3-oxopiperazin-2-yl)acetamide?
N-[3-(2-methylpropoxy)phenyl]-2-(3-oxopiperazin-2-yl)acetamide has a molecular weight of 305.38 g/mol, XLogP of 1.14, 6 rotatable bonds, 3 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[3-(2-methylpropoxy)phenyl]-2-(3-oxopiperazin-2-yl)acetamide is sourced from PubChem (CID 54794746), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).