3-(2-methoxyphenyl)-N-(2-piperazin-1-ylethyl)butanamide

C17H27N3O2 — CID 119445732

IUPAC3-(2-methoxyphenyl)-N-(2-piperazin-1-ylethyl)butanamide
SMILESCOc1ccccc1C(C)CC(=O)NCCN1CCNCC1
InChIInChI=1S/C17H27N3O2/c1-14(15-5-3-4-6-16(15)22-2)13-17(21)19-9-12-20-10-7-18-8-11-20/h3-6,14,18H,7-13H2,1-2H3,(H,19,21)
InChIKeyRCAZAGMKMSBEET-UHFFFAOYSA-N
MW305.42 g/mol
LogP1.21
Rot. Bonds7

About 3-(2-methoxyphenyl)-N-(2-piperazin-1-ylethyl)butanamide

3-(2-methoxyphenyl)-N-(2-piperazin-1-ylethyl)butanamide (PubChem CID 119445732) has the molecular formula C17H27N3O2 and a molecular weight of 305.42 g/mol. Its IUPAC name is 3-(2-methoxyphenyl)-N-(2-piperazin-1-ylethyl)butanamide.

Molecular Properties

Compound Name3-(2-methoxyphenyl)-N-(2-piperazin-1-ylethyl)butanamide
PubChem CID119445732
Molecular FormulaC17H27N3O2
Molecular Weight305.42 g/mol
Exact Mass305.21
IUPAC Name3-(2-methoxyphenyl)-N-(2-piperazin-1-ylethyl)butanamide
SMILESCOc1ccccc1C(C)CC(=O)NCCN1CCNCC1
InChIInChI=1S/C17H27N3O2/c1-14(15-5-3-4-6-16(15)22-2)13-17(21)19-9-12-20-10-7-18-8-11-20/h3-6,14,18H,7-13H2,1-2H3,(H,19,21)
InChIKeyRCAZAGMKMSBEET-UHFFFAOYSA-N
XLogP1.21
TPSA53.60 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500305.42
LogP ≤ 51.21
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Analyze 3-(2-methoxyphenyl)-N-(2-piperazin-1-ylethyl)butanamide 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

4-(2-methoxyphenyl)-3-methyl-N-(2-piperazin-1-ylethyl)butanamide;hydrochloride
CID 119445159
3-acetamido-3-(2-ethoxyphenyl)-N-(2-piperazin-1-ylethyl)propanamide
CID 119446350
N-(2-aminoethyl)-3-(2-methoxyphenyl)butanamide
CID 119382744
N-(3-aminobutyl)-3-(2-methoxyphenyl)butanamide;hydrochloride
CID 119495811
4-(2-ethoxyphenoxy)-N-(2-piperazin-1-ylethyl)butanamide;hydrochloride
CID 119449031
3-(2-methoxyphenyl)-N-(2-piperidin-3-ylethyl)butanamide
CID 119555918
N-[2-(cycloheptylamino)ethyl]-3-(2-methoxyphenyl)butanamide
CID 119619663
3-methyl-N-(2-piperazin-1-ylethyl)butanamide;hydrochloride
CID 119447149
(3R)-3-(2-chlorophenyl)-3-phenyl-N-(2-piperazin-1-ylethyl)propanamide
CID 97283785
2-(2,5-dimethoxyphenyl)-N-(2-piperazin-1-ylethyl)acetamide
CID 119446777
3-(2-methoxyphenyl)-N-(pyrrolidin-2-ylmethyl)butanamide
CID 119510808
3-acetamido-3-(2-ethoxyphenyl)-N-(3-piperazin-1-ylpropyl)propanamide;hydrochloride
CID 119392017

Frequently Asked Questions

What is the IUPAC name of 3-(2-methoxyphenyl)-N-(2-piperazin-1-ylethyl)butanamide?
The IUPAC name of 3-(2-methoxyphenyl)-N-(2-piperazin-1-ylethyl)butanamide (CID 119445732) is 3-(2-methoxyphenyl)-N-(2-piperazin-1-ylethyl)butanamide.
What is the SMILES notation for 3-(2-methoxyphenyl)-N-(2-piperazin-1-ylethyl)butanamide?
The canonical SMILES for 3-(2-methoxyphenyl)-N-(2-piperazin-1-ylethyl)butanamide is COc1ccccc1C(C)CC(=O)NCCN1CCNCC1.
What is the InChIKey of 3-(2-methoxyphenyl)-N-(2-piperazin-1-ylethyl)butanamide?
The InChIKey is RCAZAGMKMSBEET-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H27N3O2/c1-14(15-5-3-4-6-16(15)22-2)13-17(21)19-9-12-20-10-7-18-8-11-20/h3-6,14,18H,7-13H2,1-2H3,(H,19,21).
What are the key properties of 3-(2-methoxyphenyl)-N-(2-piperazin-1-ylethyl)butanamide?
3-(2-methoxyphenyl)-N-(2-piperazin-1-ylethyl)butanamide has a molecular weight of 305.42 g/mol, XLogP of 1.21, 7 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(2-methoxyphenyl)-N-(2-piperazin-1-ylethyl)butanamide is sourced from PubChem (CID 119445732), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).