[2-(2-methoxyphenyl)piperazin-1-yl]-[3-(pyrrolidin-1-ylmethyl)phenyl]methanone;dihydrochloride

C23H31Cl2N3O2 — CID 120735196

IUPAC[2-(2-methoxyphenyl)piperazin-1-yl]-[3-(pyrrolidin-1-ylmethyl)phenyl]methanone;dihydrochloride
SMILESCOc1ccccc1C1CNCCN1C(=O)c1cccc(CN2CCCC2)c1.Cl.Cl
InChIInChI=1S/C23H29N3O2.2ClH/c1-28-22-10-3-2-9-20(22)21-16-24-11-14-26(21)23(27)19-8-6-7-18(15-19)17-25-12-4-5-13-25;;/h2-3,6-10,15,21,24H,4-5,11-14,16-17H2,1H3;2*1H
InChIKeyKKBGZDSMEMAULI-UHFFFAOYSA-N
MW452.43 g/mol
LogP3.92
Rot. Bonds5

About [2-(2-methoxyphenyl)piperazin-1-yl]-[3-(pyrrolidin-1-ylmethyl)phenyl]methanone;dihydrochloride

[2-(2-methoxyphenyl)piperazin-1-yl]-[3-(pyrrolidin-1-ylmethyl)phenyl]methanone;dihydrochloride (PubChem CID 120735196) has the molecular formula C23H31Cl2N3O2 and a molecular weight of 452.43 g/mol. Its IUPAC name is [2-(2-methoxyphenyl)piperazin-1-yl]-[3-(pyrrolidin-1-ylmethyl)phenyl]methanone;dihydrochloride.

Molecular Properties

Compound Name[2-(2-methoxyphenyl)piperazin-1-yl]-[3-(pyrrolidin-1-ylmethyl)phenyl]methanone;dihydrochloride
PubChem CID120735196
Molecular FormulaC23H31Cl2N3O2
Molecular Weight452.43 g/mol
Exact Mass451.18
IUPAC Name[2-(2-methoxyphenyl)piperazin-1-yl]-[3-(pyrrolidin-1-ylmethyl)phenyl]methanone;dihydrochloride
SMILESCOc1ccccc1C1CNCCN1C(=O)c1cccc(CN2CCCC2)c1.Cl.Cl
InChIInChI=1S/C23H29N3O2.2ClH/c1-28-22-10-3-2-9-20(22)21-16-24-11-14-26(21)23(27)19-8-6-7-18(15-19)17-25-12-4-5-13-25;;/h2-3,6-10,15,21,24H,4-5,11-14,16-17H2,1H3;2*1H
InChIKeyKKBGZDSMEMAULI-UHFFFAOYSA-N
XLogP3.92
TPSA44.81 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms30
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500452.43
LogP ≤ 53.92
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Analyze [2-(2-methoxyphenyl)piperazin-1-yl]-[3-(pyrrolidin-1-ylmethyl)phenyl]methanone;dihydrochloride 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

[3-[[2-(2-methoxyphenyl)piperazin-1-yl]methyl]phenyl]-piperidin-1-ylmethanone;hydrochloride
CID 120753770
[2-(2-methoxyphenyl)piperazin-1-yl]-[3-(methylsulfinylmethyl)phenyl]methanone
CID 120733266
(3,4-diethoxyphenyl)-[2-(2-methoxyphenyl)piperazin-1-yl]methanone
CID 120733355
(4-ethylphenyl)-[2-(2-methoxyphenyl)piperazin-1-yl]methanone
CID 120733353
1-[3-[2-(2-methoxyphenyl)piperazine-1-carbonyl]phenyl]-3-propan-2-ylurea;hydrochloride
CID 120734964
[2-(2-methoxyphenyl)piperazin-1-yl]-(3,4,5-trifluorophenyl)methanone
CID 120733240
[1-[(3-fluorophenyl)methyl]triazol-4-yl]-[2-(2-methoxyphenyl)piperazin-1-yl]methanone;hydrochloride
CID 120734882
[2-(2-methoxyphenyl)piperazin-1-yl]-pyridin-3-ylmethanone;dihydrochloride
CID 120732780
(5-bromothiophen-3-yl)-[2-(2-methoxyphenyl)piperazin-1-yl]methanone;hydrochloride
CID 120734960
[2-(2-methoxyphenyl)piperazin-1-yl]-[4-(methylsulfanylmethyl)phenyl]methanone
CID 120734013
[1-[(3-fluorophenyl)methyl]triazol-4-yl]-[2-(2-methoxyphenyl)piperazin-1-yl]methanone
CID 120734883
N,N-diethyl-4-[2-(2-methoxyphenyl)piperazine-1-carbonyl]benzamide;hydrochloride
CID 120733486

Frequently Asked Questions

What is the IUPAC name of [2-(2-methoxyphenyl)piperazin-1-yl]-[3-(pyrrolidin-1-ylmethyl)phenyl]methanone;dihydrochloride?
The IUPAC name of [2-(2-methoxyphenyl)piperazin-1-yl]-[3-(pyrrolidin-1-ylmethyl)phenyl]methanone;dihydrochloride (CID 120735196) is [2-(2-methoxyphenyl)piperazin-1-yl]-[3-(pyrrolidin-1-ylmethyl)phenyl]methanone;dihydrochloride.
What is the SMILES notation for [2-(2-methoxyphenyl)piperazin-1-yl]-[3-(pyrrolidin-1-ylmethyl)phenyl]methanone;dihydrochloride?
The canonical SMILES for [2-(2-methoxyphenyl)piperazin-1-yl]-[3-(pyrrolidin-1-ylmethyl)phenyl]methanone;dihydrochloride is COc1ccccc1C1CNCCN1C(=O)c1cccc(CN2CCCC2)c1.Cl.Cl.
What is the InChIKey of [2-(2-methoxyphenyl)piperazin-1-yl]-[3-(pyrrolidin-1-ylmethyl)phenyl]methanone;dihydrochloride?
The InChIKey is KKBGZDSMEMAULI-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H29N3O2.2ClH/c1-28-22-10-3-2-9-20(22)21-16-24-11-14-26(21)23(27)19-8-6-7-18(15-19)17-25-12-4-5-13-25;;/h2-3,6-10,15,21,24H,4-5,11-14,16-17H2,1H3;2*1H.
What are the key properties of [2-(2-methoxyphenyl)piperazin-1-yl]-[3-(pyrrolidin-1-ylmethyl)phenyl]methanone;dihydrochloride?
[2-(2-methoxyphenyl)piperazin-1-yl]-[3-(pyrrolidin-1-ylmethyl)phenyl]methanone;dihydrochloride has a molecular weight of 452.43 g/mol, XLogP of 3.92, 5 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for [2-(2-methoxyphenyl)piperazin-1-yl]-[3-(pyrrolidin-1-ylmethyl)phenyl]methanone;dihydrochloride is sourced from PubChem (CID 120735196), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).