1-piperazin-1-yl-2-[4-(pyrrolidine-1-carbonyl)phenoxy]ethanone

C17H23N3O3 — CID 28916794

IUPAC1-piperazin-1-yl-2-[4-(pyrrolidine-1-carbonyl)phenoxy]ethanone
SMILESO=C(COc1ccc(C(=O)N2CCCC2)cc1)N1CCNCC1
InChIInChI=1S/C17H23N3O3/c21-16(19-11-7-18-8-12-19)13-23-15-5-3-14(4-6-15)17(22)20-9-1-2-10-20/h3-6,18H,1-2,7-13H2
InChIKeyJVJFQNNTZJDCQN-UHFFFAOYSA-N
MW317.39 g/mol
LogP0.73
Rot. Bonds4

About 1-piperazin-1-yl-2-[4-(pyrrolidine-1-carbonyl)phenoxy]ethanone

1-piperazin-1-yl-2-[4-(pyrrolidine-1-carbonyl)phenoxy]ethanone (PubChem CID 28916794) has the molecular formula C17H23N3O3 and a molecular weight of 317.39 g/mol. Its IUPAC name is 1-piperazin-1-yl-2-[4-(pyrrolidine-1-carbonyl)phenoxy]ethanone.

Molecular Properties

Compound Name1-piperazin-1-yl-2-[4-(pyrrolidine-1-carbonyl)phenoxy]ethanone
PubChem CID28916794
Molecular FormulaC17H23N3O3
Molecular Weight317.39 g/mol
Exact Mass317.17
IUPAC Name1-piperazin-1-yl-2-[4-(pyrrolidine-1-carbonyl)phenoxy]ethanone
SMILESO=C(COc1ccc(C(=O)N2CCCC2)cc1)N1CCNCC1
InChIInChI=1S/C17H23N3O3/c21-16(19-11-7-18-8-12-19)13-23-15-5-3-14(4-6-15)17(22)20-9-1-2-10-20/h3-6,18H,1-2,7-13H2
InChIKeyJVJFQNNTZJDCQN-UHFFFAOYSA-N
XLogP0.73
TPSA61.88 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500317.39
LogP ≤ 50.73
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Analyze 1-piperazin-1-yl-2-[4-(pyrrolidine-1-carbonyl)phenoxy]ethanone 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-oxo-2-piperazin-1-ylethoxy)benzoic acid
CID 82147640
2-(4-benzoylphenoxy)-1-(1,4-diazepan-1-yl)ethanone
CID 119415956
2-[4-(4-fluorobenzoyl)phenoxy]-1-piperazin-1-ylethanone
CID 167771023
1-(2,6-dimethylpiperidin-1-yl)-2-[4-(piperazine-1-carbonyl)phenoxy]ethanone;hydrochloride
CID 119400512
1,4-diazepan-1-yl-(4-ethoxyphenyl)methanone;hydrochloride
CID 119417655
2-(4-fluorophenoxy)-1-[4-[[4-(pyrrolidine-1-carbonyl)phenoxy]methyl]piperidin-1-yl]ethanone
CID 53150393
4-[2-(azepan-1-yl)-2-oxoethoxy]benzenecarbothioamide
CID 24689917
2-[4-[4-(2-oxo-2-pyrrolidin-1-ylethoxy)phenoxy]phenoxy]-1-pyrrolidin-1-ylethanone
CID 178065020
4-[2-(azocan-1-yl)-2-oxoethoxy]benzamide
CID 8566237
1-(1,4-diazepan-1-yl)-2-(4-propan-2-ylphenoxy)ethanone;hydrochloride
CID 119417235
2-[2,6-dimethyl-4-(piperazine-1-carbonyl)phenoxy]-1-piperidin-1-ylethanone
CID 119401934
1-(azocan-1-yl)-2-[4-(4-fluorobenzoyl)phenoxy]ethanone
CID 55397362

Frequently Asked Questions

What is the IUPAC name of 1-piperazin-1-yl-2-[4-(pyrrolidine-1-carbonyl)phenoxy]ethanone?
The IUPAC name of 1-piperazin-1-yl-2-[4-(pyrrolidine-1-carbonyl)phenoxy]ethanone (CID 28916794) is 1-piperazin-1-yl-2-[4-(pyrrolidine-1-carbonyl)phenoxy]ethanone.
What is the SMILES notation for 1-piperazin-1-yl-2-[4-(pyrrolidine-1-carbonyl)phenoxy]ethanone?
The canonical SMILES for 1-piperazin-1-yl-2-[4-(pyrrolidine-1-carbonyl)phenoxy]ethanone is O=C(COc1ccc(C(=O)N2CCCC2)cc1)N1CCNCC1.
What is the InChIKey of 1-piperazin-1-yl-2-[4-(pyrrolidine-1-carbonyl)phenoxy]ethanone?
The InChIKey is JVJFQNNTZJDCQN-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H23N3O3/c21-16(19-11-7-18-8-12-19)13-23-15-5-3-14(4-6-15)17(22)20-9-1-2-10-20/h3-6,18H,1-2,7-13H2.
What are the key properties of 1-piperazin-1-yl-2-[4-(pyrrolidine-1-carbonyl)phenoxy]ethanone?
1-piperazin-1-yl-2-[4-(pyrrolidine-1-carbonyl)phenoxy]ethanone has a molecular weight of 317.39 g/mol, XLogP of 0.73, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-piperazin-1-yl-2-[4-(pyrrolidine-1-carbonyl)phenoxy]ethanone is sourced from PubChem (CID 28916794), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).