4-[1-(azepan-1-yl)-1-oxopropan-2-yl]-1-(2-methoxyphenyl)piperazin-2-one

C20H29N3O3 — CID 70781583

IUPAC4-[1-(azepan-1-yl)-1-oxopropan-2-yl]-1-(2-methoxyphenyl)piperazin-2-one
SMILESCOc1ccccc1N1CCN(C(C)C(=O)N2CCCCCC2)CC1=O
InChIInChI=1S/C20H29N3O3/c1-16(20(25)21-11-7-3-4-8-12-21)22-13-14-23(19(24)15-22)17-9-5-6-10-18(17)26-2/h5-6,9-10,16H,3-4,7-8,11-15H2,1-2H3
InChIKeyKWWILEWHWWLVCR-UHFFFAOYSA-N
MW359.47 g/mol
LogP2.13
Rot. Bonds4

About 4-[1-(azepan-1-yl)-1-oxopropan-2-yl]-1-(2-methoxyphenyl)piperazin-2-one

4-[1-(azepan-1-yl)-1-oxopropan-2-yl]-1-(2-methoxyphenyl)piperazin-2-one (PubChem CID 70781583) has the molecular formula C20H29N3O3 and a molecular weight of 359.47 g/mol. Its IUPAC name is 4-[1-(azepan-1-yl)-1-oxopropan-2-yl]-1-(2-methoxyphenyl)piperazin-2-one.

Molecular Properties

Compound Name4-[1-(azepan-1-yl)-1-oxopropan-2-yl]-1-(2-methoxyphenyl)piperazin-2-one
PubChem CID70781583
Molecular FormulaC20H29N3O3
Molecular Weight359.47 g/mol
Exact Mass359.22
IUPAC Name4-[1-(azepan-1-yl)-1-oxopropan-2-yl]-1-(2-methoxyphenyl)piperazin-2-one
SMILESCOc1ccccc1N1CCN(C(C)C(=O)N2CCCCCC2)CC1=O
InChIInChI=1S/C20H29N3O3/c1-16(20(25)21-11-7-3-4-8-12-21)22-13-14-23(19(24)15-22)17-9-5-6-10-18(17)26-2/h5-6,9-10,16H,3-4,7-8,11-15H2,1-2H3
InChIKeyKWWILEWHWWLVCR-UHFFFAOYSA-N
XLogP2.13
TPSA53.09 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500359.47
LogP ≤ 52.13
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

Analyze 4-[1-(azepan-1-yl)-1-oxopropan-2-yl]-1-(2-methoxyphenyl)piperazin-2-one with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

1-(2-methoxyphenyl)-4-[(2R)-1-oxo-1-pyrrolidin-1-ylpropan-2-yl]piperazin-2-one
CID 97119292
1-(2-methoxyphenyl)-4-[(4R)-4-pyrrolidin-1-ylpentanoyl]piperazin-2-one
CID 96578674
4-[(2R)-2-(4-fluorophenyl)-2-hydroxyacetyl]-1-(2-methoxyphenyl)piperazin-2-one
CID 96576520
4-[(1R,9aR)-2,3,4,6,7,8,9,9a-octahydro-1H-quinolizine-1-carbonyl]-1-(2-methoxyphenyl)piperazin-2-one
CID 70707671
2-[4-(2-methoxyphenyl)piperazin-1-yl]-2-phenyl-1-pyrrolidin-1-ylethanone
CID 46614027
1-(2-methoxyphenyl)-4-[(2S)-2-pyrrol-1-ylbutanoyl]piperazin-2-one
CID 96572015
(2S)-1-(azepan-1-yl)-2-(2-methoxyphenoxy)propan-1-one
CID 9173596
4-(2-ethoxyacetyl)-1-(2-methoxyphenyl)piperazin-2-one
CID 70778425
4-(4-amino-3-hydroxybutanoyl)-1-(2-methoxyphenyl)piperazin-2-one
CID 70748158
1-(2-methoxyphenyl)-4-[3-(2-methoxyphenyl)propanoyl]piperazin-2-one
CID 70726432
(2S)-2-[4-(2-methoxyphenyl)piperazin-1-yl]-1-(4-prop-2-enylpiperazin-1-yl)propan-1-one
CID 92987474
(2S)-2-[4-[(2-chloro-6-methoxyphenyl)methyl]piperazin-1-yl]-1-pyrrolidin-1-ylpropan-1-one
CID 97160455

Frequently Asked Questions

What is the IUPAC name of 4-[1-(azepan-1-yl)-1-oxopropan-2-yl]-1-(2-methoxyphenyl)piperazin-2-one?
The IUPAC name of 4-[1-(azepan-1-yl)-1-oxopropan-2-yl]-1-(2-methoxyphenyl)piperazin-2-one (CID 70781583) is 4-[1-(azepan-1-yl)-1-oxopropan-2-yl]-1-(2-methoxyphenyl)piperazin-2-one.
What is the SMILES notation for 4-[1-(azepan-1-yl)-1-oxopropan-2-yl]-1-(2-methoxyphenyl)piperazin-2-one?
The canonical SMILES for 4-[1-(azepan-1-yl)-1-oxopropan-2-yl]-1-(2-methoxyphenyl)piperazin-2-one is COc1ccccc1N1CCN(C(C)C(=O)N2CCCCCC2)CC1=O.
What is the InChIKey of 4-[1-(azepan-1-yl)-1-oxopropan-2-yl]-1-(2-methoxyphenyl)piperazin-2-one?
The InChIKey is KWWILEWHWWLVCR-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H29N3O3/c1-16(20(25)21-11-7-3-4-8-12-21)22-13-14-23(19(24)15-22)17-9-5-6-10-18(17)26-2/h5-6,9-10,16H,3-4,7-8,11-15H2,1-2H3.
What are the key properties of 4-[1-(azepan-1-yl)-1-oxopropan-2-yl]-1-(2-methoxyphenyl)piperazin-2-one?
4-[1-(azepan-1-yl)-1-oxopropan-2-yl]-1-(2-methoxyphenyl)piperazin-2-one has a molecular weight of 359.47 g/mol, XLogP of 2.13, 4 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[1-(azepan-1-yl)-1-oxopropan-2-yl]-1-(2-methoxyphenyl)piperazin-2-one is sourced from PubChem (CID 70781583), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).