1-[2-[2-(2-methoxyphenyl)piperazine-1-carbonyl]pyrrolidin-1-yl]ethanone;hydrochloride

C18H26ClN3O3 — CID 120732946

IUPAC1-[2-[2-(2-methoxyphenyl)piperazine-1-carbonyl]pyrrolidin-1-yl]ethanone;hydrochloride
SMILESCOc1ccccc1C1CNCCN1C(=O)C1CCCN1C(C)=O.Cl
InChIInChI=1S/C18H25N3O3.ClH/c1-13(22)20-10-5-7-15(20)18(23)21-11-9-19-12-16(21)14-6-3-4-8-17(14)24-2;/h3-4,6,8,15-16,19H,5,7,9-12H2,1-2H3;1H
InChIKeyZWYVAWXFKDDHBO-UHFFFAOYSA-N
MW367.88 g/mol
LogP1.60
Rot. Bonds3

About 1-[2-[2-(2-methoxyphenyl)piperazine-1-carbonyl]pyrrolidin-1-yl]ethanone;hydrochloride

1-[2-[2-(2-methoxyphenyl)piperazine-1-carbonyl]pyrrolidin-1-yl]ethanone;hydrochloride (PubChem CID 120732946) has the molecular formula C18H26ClN3O3 and a molecular weight of 367.88 g/mol. Its IUPAC name is 1-[2-[2-(2-methoxyphenyl)piperazine-1-carbonyl]pyrrolidin-1-yl]ethanone;hydrochloride.

Molecular Properties

Compound Name1-[2-[2-(2-methoxyphenyl)piperazine-1-carbonyl]pyrrolidin-1-yl]ethanone;hydrochloride
PubChem CID120732946
Molecular FormulaC18H26ClN3O3
Molecular Weight367.88 g/mol
Exact Mass367.17
IUPAC Name1-[2-[2-(2-methoxyphenyl)piperazine-1-carbonyl]pyrrolidin-1-yl]ethanone;hydrochloride
SMILESCOc1ccccc1C1CNCCN1C(=O)C1CCCN1C(C)=O.Cl
InChIInChI=1S/C18H25N3O3.ClH/c1-13(22)20-10-5-7-15(20)18(23)21-11-9-19-12-16(21)14-6-3-4-8-17(14)24-2;/h3-4,6,8,15-16,19H,5,7,9-12H2,1-2H3;1H
InChIKeyZWYVAWXFKDDHBO-UHFFFAOYSA-N
XLogP1.60
TPSA61.88 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500367.88
LogP ≤ 51.60
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

cycloheptyl-[2-(2-methoxyphenyl)piperazin-1-yl]methanone;hydrochloride
CID 120735372
[2-(2-methoxyphenyl)piperazin-1-yl]-(1-methylpiperidin-4-yl)methanone;dihydrochloride
CID 120733424
5-[2-(2-methoxyphenyl)piperazine-1-carbonyl]pyrrolidin-2-one
CID 120733049
[2-(2-methoxyphenyl)piperazin-1-yl]-(1,2,3,4-tetrahydronaphthalen-1-yl)methanone
CID 120733877
(4R)-4-[2-(2-methoxyphenyl)piperazine-1-carbonyl]-1,3-thiazolidin-2-one;hydrochloride
CID 120735018
2-cyclopentyloxy-1-[2-(2-methoxyphenyl)piperazin-1-yl]ethanone;hydrochloride
CID 120735006
1-[2-(2-methoxyphenyl)piperazin-1-yl]-2-(1,2,3,4-tetrahydronaphthalen-1-yl)ethanone;hydrochloride
CID 120732822
N-[4-[2-(2-methoxyphenyl)piperazin-1-yl]-4-oxobutan-2-yl]cyclopentanecarboxamide
CID 120734212
[2-(2-methoxyphenyl)piperazin-1-yl]-(3,4,5-trifluorophenyl)methanone
CID 120733240
[2-(2-methoxyphenyl)piperazin-1-yl]-pyridin-3-ylmethanone;dihydrochloride
CID 120732780
(2,4-dimethylphenyl)-[2-(2-methoxyphenyl)piperazin-1-yl]methanone;hydrochloride
CID 120735161
N-[4-[2-(2-methoxyphenyl)piperazin-1-yl]-4-oxobutan-2-yl]cyclohexanecarboxamide;hydrochloride
CID 120734581

Frequently Asked Questions

What is the IUPAC name of 1-[2-[2-(2-methoxyphenyl)piperazine-1-carbonyl]pyrrolidin-1-yl]ethanone;hydrochloride?
The IUPAC name of 1-[2-[2-(2-methoxyphenyl)piperazine-1-carbonyl]pyrrolidin-1-yl]ethanone;hydrochloride (CID 120732946) is 1-[2-[2-(2-methoxyphenyl)piperazine-1-carbonyl]pyrrolidin-1-yl]ethanone;hydrochloride.
What is the SMILES notation for 1-[2-[2-(2-methoxyphenyl)piperazine-1-carbonyl]pyrrolidin-1-yl]ethanone;hydrochloride?
The canonical SMILES for 1-[2-[2-(2-methoxyphenyl)piperazine-1-carbonyl]pyrrolidin-1-yl]ethanone;hydrochloride is COc1ccccc1C1CNCCN1C(=O)C1CCCN1C(C)=O.Cl.
What is the InChIKey of 1-[2-[2-(2-methoxyphenyl)piperazine-1-carbonyl]pyrrolidin-1-yl]ethanone;hydrochloride?
The InChIKey is ZWYVAWXFKDDHBO-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H25N3O3.ClH/c1-13(22)20-10-5-7-15(20)18(23)21-11-9-19-12-16(21)14-6-3-4-8-17(14)24-2;/h3-4,6,8,15-16,19H,5,7,9-12H2,1-2H3;1H.
What are the key properties of 1-[2-[2-(2-methoxyphenyl)piperazine-1-carbonyl]pyrrolidin-1-yl]ethanone;hydrochloride?
1-[2-[2-(2-methoxyphenyl)piperazine-1-carbonyl]pyrrolidin-1-yl]ethanone;hydrochloride has a molecular weight of 367.88 g/mol, XLogP of 1.60, 3 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[2-[2-(2-methoxyphenyl)piperazine-1-carbonyl]pyrrolidin-1-yl]ethanone;hydrochloride is sourced from PubChem (CID 120732946), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).