[2-(2-methoxyphenyl)piperazin-1-yl]-(1-methylpyrrol-2-yl)methanone;hydrochloride

C17H22ClN3O2 — CID 120734744

IUPAC[2-(2-methoxyphenyl)piperazin-1-yl]-(1-methylpyrrol-2-yl)methanone;hydrochloride
SMILESCOc1ccccc1C1CNCCN1C(=O)c1cccn1C.Cl
InChIInChI=1S/C17H21N3O2.ClH/c1-19-10-5-7-14(19)17(21)20-11-9-18-12-15(20)13-6-3-4-8-16(13)22-2;/h3-8,10,15,18H,9,11-12H2,1-2H3;1H
InChIKeyCDRVVYMSIOSADP-UHFFFAOYSA-N
MW335.84 g/mol
LogP2.24
Rot. Bonds3

About [2-(2-methoxyphenyl)piperazin-1-yl]-(1-methylpyrrol-2-yl)methanone;hydrochloride

[2-(2-methoxyphenyl)piperazin-1-yl]-(1-methylpyrrol-2-yl)methanone;hydrochloride (PubChem CID 120734744) has the molecular formula C17H22ClN3O2 and a molecular weight of 335.84 g/mol. Its IUPAC name is [2-(2-methoxyphenyl)piperazin-1-yl]-(1-methylpyrrol-2-yl)methanone;hydrochloride.

Molecular Properties

Compound Name[2-(2-methoxyphenyl)piperazin-1-yl]-(1-methylpyrrol-2-yl)methanone;hydrochloride
PubChem CID120734744
Molecular FormulaC17H22ClN3O2
Molecular Weight335.84 g/mol
Exact Mass335.14
IUPAC Name[2-(2-methoxyphenyl)piperazin-1-yl]-(1-methylpyrrol-2-yl)methanone;hydrochloride
SMILESCOc1ccccc1C1CNCCN1C(=O)c1cccn1C.Cl
InChIInChI=1S/C17H21N3O2.ClH/c1-19-10-5-7-14(19)17(21)20-11-9-18-12-15(20)13-6-3-4-8-16(13)22-2;/h3-8,10,15,18H,9,11-12H2,1-2H3;1H
InChIKeyCDRVVYMSIOSADP-UHFFFAOYSA-N
XLogP2.24
TPSA46.50 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500335.84
LogP ≤ 52.24
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

(2,5-dimethylpyrazol-3-yl)-[2-(2-methoxyphenyl)piperazin-1-yl]methanone;hydrochloride
CID 120733241
[2-(2-methoxyphenyl)piperazin-1-yl]-(1-methylpiperidin-4-yl)methanone;dihydrochloride
CID 120733424
(2,4-dimethoxyphenyl)-[2-(2-methoxyphenyl)piperazin-1-yl]methanone;hydrochloride
CID 120733692
[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
cycloheptyl-[2-(2-methoxyphenyl)piperazin-1-yl]methanone;hydrochloride
CID 120735372
(4-ethylphenyl)-[2-(2-methoxyphenyl)piperazin-1-yl]methanone
CID 120733353
(3-aminopyrazin-2-yl)-[2-(2-methoxyphenyl)piperazin-1-yl]methanone;dihydrochloride
CID 120735210
(5-bromothiophen-3-yl)-[2-(2-methoxyphenyl)piperazin-1-yl]methanone;hydrochloride
CID 120734960
[2-(1-methylimidazol-2-yl)piperazin-1-yl]-(1-methylpyrrol-2-yl)methanone;hydrochloride
CID 120879273
(2,5-dimethylphenyl)-[2-(2-methoxyphenyl)piperazin-1-yl]methanone
CID 120734041

Frequently Asked Questions

What is the IUPAC name of [2-(2-methoxyphenyl)piperazin-1-yl]-(1-methylpyrrol-2-yl)methanone;hydrochloride?
The IUPAC name of [2-(2-methoxyphenyl)piperazin-1-yl]-(1-methylpyrrol-2-yl)methanone;hydrochloride (CID 120734744) is [2-(2-methoxyphenyl)piperazin-1-yl]-(1-methylpyrrol-2-yl)methanone;hydrochloride.
What is the SMILES notation for [2-(2-methoxyphenyl)piperazin-1-yl]-(1-methylpyrrol-2-yl)methanone;hydrochloride?
The canonical SMILES for [2-(2-methoxyphenyl)piperazin-1-yl]-(1-methylpyrrol-2-yl)methanone;hydrochloride is COc1ccccc1C1CNCCN1C(=O)c1cccn1C.Cl.
What is the InChIKey of [2-(2-methoxyphenyl)piperazin-1-yl]-(1-methylpyrrol-2-yl)methanone;hydrochloride?
The InChIKey is CDRVVYMSIOSADP-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H21N3O2.ClH/c1-19-10-5-7-14(19)17(21)20-11-9-18-12-15(20)13-6-3-4-8-16(13)22-2;/h3-8,10,15,18H,9,11-12H2,1-2H3;1H.
What are the key properties of [2-(2-methoxyphenyl)piperazin-1-yl]-(1-methylpyrrol-2-yl)methanone;hydrochloride?
[2-(2-methoxyphenyl)piperazin-1-yl]-(1-methylpyrrol-2-yl)methanone;hydrochloride has a molecular weight of 335.84 g/mol, XLogP of 2.24, 3 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]-(1-methylpyrrol-2-yl)methanone;hydrochloride is sourced from PubChem (CID 120734744), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).