5-chloro-2-[[4-(2-methoxyphenyl)piperazin-1-yl]-propylamino]-N,N-dimethylbenzamide;hydrochloride

C23H32Cl2N4O2 — CID 67704422

IUPAC5-chloro-2-[[4-(2-methoxyphenyl)piperazin-1-yl]-propylamino]-N,N-dimethylbenzamide;hydrochloride
SMILESCCCN(c1ccc(Cl)cc1C(=O)N(C)C)N1CCN(c2ccccc2OC)CC1.Cl
InChIInChI=1S/C23H31ClN4O2.ClH/c1-5-12-28(20-11-10-18(24)17-19(20)23(29)25(2)3)27-15-13-26(14-16-27)21-8-6-7-9-22(21)30-4;/h6-11,17H,5,12-16H2,1-4H3;1H
InChIKeyURLMLUQSIHRJSB-UHFFFAOYSA-N
MW467.44 g/mol
LogP4.43
Rot. Bonds7

About 5-chloro-2-[[4-(2-methoxyphenyl)piperazin-1-yl]-propylamino]-N,N-dimethylbenzamide;hydrochloride

5-chloro-2-[[4-(2-methoxyphenyl)piperazin-1-yl]-propylamino]-N,N-dimethylbenzamide;hydrochloride (PubChem CID 67704422) has the molecular formula C23H32Cl2N4O2 and a molecular weight of 467.44 g/mol. Its IUPAC name is 5-chloro-2-[[4-(2-methoxyphenyl)piperazin-1-yl]-propylamino]-N,N-dimethylbenzamide;hydrochloride.

Molecular Properties

Compound Name5-chloro-2-[[4-(2-methoxyphenyl)piperazin-1-yl]-propylamino]-N,N-dimethylbenzamide;hydrochloride
PubChem CID67704422
Molecular FormulaC23H32Cl2N4O2
Molecular Weight467.44 g/mol
Exact Mass466.19
IUPAC Name5-chloro-2-[[4-(2-methoxyphenyl)piperazin-1-yl]-propylamino]-N,N-dimethylbenzamide;hydrochloride
SMILESCCCN(c1ccc(Cl)cc1C(=O)N(C)C)N1CCN(c2ccccc2OC)CC1.Cl
InChIInChI=1S/C23H31ClN4O2.ClH/c1-5-12-28(20-11-10-18(24)17-19(20)23(29)25(2)3)27-15-13-26(14-16-27)21-8-6-7-9-22(21)30-4;/h6-11,17H,5,12-16H2,1-4H3;1H
InChIKeyURLMLUQSIHRJSB-UHFFFAOYSA-N
XLogP4.43
TPSA39.26 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds7
Heavy Atoms31
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500467.44
LogP ≤ 54.43
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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Related Compounds

3-[4-(2-methoxyphenyl)piperazin-1-yl]-N,N-dimethyl-2-(propylamino)benzamide;hydrochloride
CID 22371024
2-[4-(2-methoxyphenyl)piperazin-1-yl]-N,N-dimethyl-3-propoxybenzamide
CID 67704305
2-[4-(2-methoxyphenyl)piperazin-1-yl]-N,N,5-trimethyl-3-(propylamino)benzamide;hydrochloride
CID 67704353
2,5-dichloro-N-[3-[4-(2-methoxyphenyl)piperazin-1-yl]propyl]benzamide
CID 42273217
6-chloro-2-[3-[4-(2-methoxyphenyl)piperazin-1-yl]propylamino]-N,N-dimethylpyridine-3-carboxamide;hydrochloride
CID 21473425
2-[3-[4-(2-methoxyphenyl)piperazin-1-yl]propyl-methylamino]-N,N-dimethylpyridine-3-carboxamide;hydrochloride
CID 21473475
N-[(4-chlorophenyl)methyl]-2-[4-(2-methoxyphenyl)piperazin-1-yl]-N-methylacetamide
CID 8687143
2-[2-[4-(2-methoxyphenyl)piperazin-1-yl]ethylamino]-N,N-dimethylbenzamide
CID 22458090
6-[4-(2-methoxyphenyl)piperazin-1-yl]-N,N-dipropylpyridazine-3-carboxamide
CID 109123968
2-[6-chloro-3-[4-(2-methoxyphenyl)piperazine-1-carbonyl]-2,3-dihydroindol-1-yl]-N,N-dimethylacetamide
CID 70639791
1-(4-chlorophenyl)-4-[4-(2-methoxyphenyl)piperazin-1-yl]butane-1,4-dione
CID 9335597
(7-chloroisoquinolin-4-yl)-[4-(2-methoxyphenyl)piperazin-1-yl]methanone
CID 134091245

Frequently Asked Questions

What is the IUPAC name of 5-chloro-2-[[4-(2-methoxyphenyl)piperazin-1-yl]-propylamino]-N,N-dimethylbenzamide;hydrochloride?
The IUPAC name of 5-chloro-2-[[4-(2-methoxyphenyl)piperazin-1-yl]-propylamino]-N,N-dimethylbenzamide;hydrochloride (CID 67704422) is 5-chloro-2-[[4-(2-methoxyphenyl)piperazin-1-yl]-propylamino]-N,N-dimethylbenzamide;hydrochloride.
What is the SMILES notation for 5-chloro-2-[[4-(2-methoxyphenyl)piperazin-1-yl]-propylamino]-N,N-dimethylbenzamide;hydrochloride?
The canonical SMILES for 5-chloro-2-[[4-(2-methoxyphenyl)piperazin-1-yl]-propylamino]-N,N-dimethylbenzamide;hydrochloride is CCCN(c1ccc(Cl)cc1C(=O)N(C)C)N1CCN(c2ccccc2OC)CC1.Cl.
What is the InChIKey of 5-chloro-2-[[4-(2-methoxyphenyl)piperazin-1-yl]-propylamino]-N,N-dimethylbenzamide;hydrochloride?
The InChIKey is URLMLUQSIHRJSB-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H31ClN4O2.ClH/c1-5-12-28(20-11-10-18(24)17-19(20)23(29)25(2)3)27-15-13-26(14-16-27)21-8-6-7-9-22(21)30-4;/h6-11,17H,5,12-16H2,1-4H3;1H.
What are the key properties of 5-chloro-2-[[4-(2-methoxyphenyl)piperazin-1-yl]-propylamino]-N,N-dimethylbenzamide;hydrochloride?
5-chloro-2-[[4-(2-methoxyphenyl)piperazin-1-yl]-propylamino]-N,N-dimethylbenzamide;hydrochloride has a molecular weight of 467.44 g/mol, XLogP of 4.43, 7 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 5-chloro-2-[[4-(2-methoxyphenyl)piperazin-1-yl]-propylamino]-N,N-dimethylbenzamide;hydrochloride is sourced from PubChem (CID 67704422), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).