3-(3-methoxyphenyl)-1-piperazin-1-ylbutan-1-one

C15H22N2O2 — CID 82090911

IUPAC3-(3-methoxyphenyl)-1-piperazin-1-ylbutan-1-one
SMILESCOc1cccc(C(C)CC(=O)N2CCNCC2)c1
InChIInChI=1S/C15H22N2O2/c1-12(13-4-3-5-14(11-13)19-2)10-15(18)17-8-6-16-7-9-17/h3-5,11-12,16H,6-10H2,1-2H3
InChIKeyNVFYOKINJCNAGW-UHFFFAOYSA-N
MW262.35 g/mol
LogP1.62
Rot. Bonds4

About 3-(3-methoxyphenyl)-1-piperazin-1-ylbutan-1-one

3-(3-methoxyphenyl)-1-piperazin-1-ylbutan-1-one (PubChem CID 82090911) has the molecular formula C15H22N2O2 and a molecular weight of 262.35 g/mol. Its IUPAC name is 3-(3-methoxyphenyl)-1-piperazin-1-ylbutan-1-one.

Molecular Properties

Compound Name3-(3-methoxyphenyl)-1-piperazin-1-ylbutan-1-one
PubChem CID82090911
Molecular FormulaC15H22N2O2
Molecular Weight262.35 g/mol
Exact Mass262.17
IUPAC Name3-(3-methoxyphenyl)-1-piperazin-1-ylbutan-1-one
SMILESCOc1cccc(C(C)CC(=O)N2CCNCC2)c1
InChIInChI=1S/C15H22N2O2/c1-12(13-4-3-5-14(11-13)19-2)10-15(18)17-8-6-16-7-9-17/h3-5,11-12,16H,6-10H2,1-2H3
InChIKeyNVFYOKINJCNAGW-UHFFFAOYSA-N
XLogP1.62
TPSA41.57 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500262.35
LogP ≤ 51.62
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Analyze 3-(3-methoxyphenyl)-1-piperazin-1-ylbutan-1-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-[3-(3-methoxyphenyl)butanoyl]piperidine-4-carboxamide
CID 110675703
3-phenyl-1-piperazin-1-ylbutan-1-one;hydrochloride
CID 119401565
3-[4-[1-(3-methoxyphenyl)ethyl]piperazin-1-yl]-1-piperazin-1-ylpropan-1-one
CID 120982661
ethyl 1-[3-(3-methoxyphenyl)butanoyl]piperidine-4-carboxylate
CID 110675706
1-[4-(cyclopropylmethylamino)piperidin-1-yl]-3-(3-methoxyphenyl)butan-1-one;hydrochloride
CID 119624500
1-piperazin-1-yl-3-pyridin-3-ylbutan-1-one
CID 82510316
(3S)-1-[(3R)-3-(3-methoxyphenyl)butanoyl]-3-methylpyrrolidine-3-carboxylic acid
CID 124688292
1-[2-(2-chlorophenyl)piperazin-1-yl]-3-(3-methoxyphenyl)butan-1-one;hydrochloride
CID 120739061
(3S,4S)-1-[3-(3-methoxyphenyl)butanoyl]-4-methylpyrrolidine-3-carboxylic acid
CID 120952834
1-[3-(1-aminoethyl)piperidin-1-yl]-3-(3-methoxyphenyl)butan-1-one
CID 119595798
1-[2-(3-fluorophenyl)piperazin-1-yl]-3-(3-methoxyphenyl)butan-1-one;hydrochloride
CID 120736855
(3S)-3-(3-methoxyphenyl)-1-[4-[[(3R)-oxolan-3-yl]methyl]piperazin-1-yl]butan-1-one
CID 97018484

Frequently Asked Questions

What is the IUPAC name of 3-(3-methoxyphenyl)-1-piperazin-1-ylbutan-1-one?
The IUPAC name of 3-(3-methoxyphenyl)-1-piperazin-1-ylbutan-1-one (CID 82090911) is 3-(3-methoxyphenyl)-1-piperazin-1-ylbutan-1-one.
What is the SMILES notation for 3-(3-methoxyphenyl)-1-piperazin-1-ylbutan-1-one?
The canonical SMILES for 3-(3-methoxyphenyl)-1-piperazin-1-ylbutan-1-one is COc1cccc(C(C)CC(=O)N2CCNCC2)c1.
What is the InChIKey of 3-(3-methoxyphenyl)-1-piperazin-1-ylbutan-1-one?
The InChIKey is NVFYOKINJCNAGW-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H22N2O2/c1-12(13-4-3-5-14(11-13)19-2)10-15(18)17-8-6-16-7-9-17/h3-5,11-12,16H,6-10H2,1-2H3.
What are the key properties of 3-(3-methoxyphenyl)-1-piperazin-1-ylbutan-1-one?
3-(3-methoxyphenyl)-1-piperazin-1-ylbutan-1-one has a molecular weight of 262.35 g/mol, XLogP of 1.62, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(3-methoxyphenyl)-1-piperazin-1-ylbutan-1-one is sourced from PubChem (CID 82090911), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).