2-[4-(2-phenoxyethyl)piperazin-1-yl]-1-[5-(pyrrolidine-1-carbonyl)-1H-pyrrol-3-yl]ethanone

C23H30N4O3 — CID 31034299

IUPAC2-[4-(2-phenoxyethyl)piperazin-1-yl]-1-[5-(pyrrolidine-1-carbonyl)-1H-pyrrol-3-yl]ethanone
SMILESO=C(CN1CCN(CCOc2ccccc2)CC1)c1c[nH]c(C(=O)N2CCCC2)c1
InChIInChI=1S/C23H30N4O3/c28-22(19-16-21(24-17-19)23(29)27-8-4-5-9-27)18-26-12-10-25(11-13-26)14-15-30-20-6-2-1-3-7-20/h1-3,6-7,16-17,24H,4-5,8-15,18H2
InChIKeyWWMFKMOWOWHHPS-UHFFFAOYSA-N
MW410.52 g/mol
LogP2.13
Rot. Bonds8

About 2-[4-(2-phenoxyethyl)piperazin-1-yl]-1-[5-(pyrrolidine-1-carbonyl)-1H-pyrrol-3-yl]ethanone

2-[4-(2-phenoxyethyl)piperazin-1-yl]-1-[5-(pyrrolidine-1-carbonyl)-1H-pyrrol-3-yl]ethanone (PubChem CID 31034299) has the molecular formula C23H30N4O3 and a molecular weight of 410.52 g/mol. Its IUPAC name is 2-[4-(2-phenoxyethyl)piperazin-1-yl]-1-[5-(pyrrolidine-1-carbonyl)-1H-pyrrol-3-yl]ethanone.

Molecular Properties

Compound Name2-[4-(2-phenoxyethyl)piperazin-1-yl]-1-[5-(pyrrolidine-1-carbonyl)-1H-pyrrol-3-yl]ethanone
PubChem CID31034299
Molecular FormulaC23H30N4O3
Molecular Weight410.52 g/mol
Exact Mass410.23
IUPAC Name2-[4-(2-phenoxyethyl)piperazin-1-yl]-1-[5-(pyrrolidine-1-carbonyl)-1H-pyrrol-3-yl]ethanone
SMILESO=C(CN1CCN(CCOc2ccccc2)CC1)c1c[nH]c(C(=O)N2CCCC2)c1
InChIInChI=1S/C23H30N4O3/c28-22(19-16-21(24-17-19)23(29)27-8-4-5-9-27)18-26-12-10-25(11-13-26)14-15-30-20-6-2-1-3-7-20/h1-3,6-7,16-17,24H,4-5,8-15,18H2
InChIKeyWWMFKMOWOWHHPS-UHFFFAOYSA-N
XLogP2.13
TPSA68.88 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds8
Heavy Atoms30
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500410.52
LogP ≤ 52.13
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Analyze 2-[4-(2-phenoxyethyl)piperazin-1-yl]-1-[5-(pyrrolidine-1-carbonyl)-1H-pyrrol-3-yl]ethanone with MolForge

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Related Compounds

2-(4-benzoylpiperidin-1-yl)-1-[5-(pyrrolidine-1-carbonyl)-1H-pyrrol-3-yl]ethanone
CID 33214961
[2-oxo-2-[5-(pyrrolidine-1-carbonyl)-1H-pyrrol-3-yl]ethyl] 3-(phenoxymethyl)furan-2-carboxylate
CID 42450780
phenyl 2-[4-(2-phenoxyethyl)piperazin-1-yl]acetate
CID 59382148
benzhydryl-[2-oxo-2-[5-(pyrrolidine-1-carbonyl)-1H-pyrrol-3-yl]ethyl]azanium
CID 9445986
[4-[2-(3-methylphenoxy)ethyl]piperazin-1-yl]-phenylmethanone
CID 110638188
cyclopropyl-[4-(2-phenoxyethyl)-1,4-diazepan-1-yl]methanone
CID 165435335
[4-(2-phenoxyethyl)piperazin-1-yl]-(3,4,5-trimethoxyphenyl)methanone
CID 27846975
1,4-bis(2-phenoxyethyl)-1,4-diazepane
CID 58861609
4-[3-(2-piperidin-1-ylethoxy)phenyl]-1H-pyrrole-2-carboxylic acid
CID 167844599
1-methyl-4-[4-(2-phenoxyethyl)piperazine-1-carbonyl]pyridin-2-one
CID 35706233
N,N-dimethyl-2-[4-(2-phenoxyethyl)piperazin-1-yl]acetamide
CID 78792872
(2-aminophenyl)-[4-(2-phenoxyethyl)piperazin-1-yl]methanone
CID 119946208

Frequently Asked Questions

What is the IUPAC name of 2-[4-(2-phenoxyethyl)piperazin-1-yl]-1-[5-(pyrrolidine-1-carbonyl)-1H-pyrrol-3-yl]ethanone?
The IUPAC name of 2-[4-(2-phenoxyethyl)piperazin-1-yl]-1-[5-(pyrrolidine-1-carbonyl)-1H-pyrrol-3-yl]ethanone (CID 31034299) is 2-[4-(2-phenoxyethyl)piperazin-1-yl]-1-[5-(pyrrolidine-1-carbonyl)-1H-pyrrol-3-yl]ethanone.
What is the SMILES notation for 2-[4-(2-phenoxyethyl)piperazin-1-yl]-1-[5-(pyrrolidine-1-carbonyl)-1H-pyrrol-3-yl]ethanone?
The canonical SMILES for 2-[4-(2-phenoxyethyl)piperazin-1-yl]-1-[5-(pyrrolidine-1-carbonyl)-1H-pyrrol-3-yl]ethanone is O=C(CN1CCN(CCOc2ccccc2)CC1)c1c[nH]c(C(=O)N2CCCC2)c1.
What is the InChIKey of 2-[4-(2-phenoxyethyl)piperazin-1-yl]-1-[5-(pyrrolidine-1-carbonyl)-1H-pyrrol-3-yl]ethanone?
The InChIKey is WWMFKMOWOWHHPS-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H30N4O3/c28-22(19-16-21(24-17-19)23(29)27-8-4-5-9-27)18-26-12-10-25(11-13-26)14-15-30-20-6-2-1-3-7-20/h1-3,6-7,16-17,24H,4-5,8-15,18H2.
What are the key properties of 2-[4-(2-phenoxyethyl)piperazin-1-yl]-1-[5-(pyrrolidine-1-carbonyl)-1H-pyrrol-3-yl]ethanone?
2-[4-(2-phenoxyethyl)piperazin-1-yl]-1-[5-(pyrrolidine-1-carbonyl)-1H-pyrrol-3-yl]ethanone has a molecular weight of 410.52 g/mol, XLogP of 2.13, 8 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[4-(2-phenoxyethyl)piperazin-1-yl]-1-[5-(pyrrolidine-1-carbonyl)-1H-pyrrol-3-yl]ethanone is sourced from PubChem (CID 31034299), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).