3-[4-(2-methoxyphenyl)piperazin-1-yl]-N,N-dimethyl-2-(propylamino)benzamide;hydrochloride

C23H33ClN4O2 — CID 22371024

IUPAC3-[4-(2-methoxyphenyl)piperazin-1-yl]-N,N-dimethyl-2-(propylamino)benzamide;hydrochloride
SMILESCCCNc1c(C(=O)N(C)C)cccc1N1CCN(c2ccccc2OC)CC1.Cl
InChIInChI=1S/C23H32N4O2.ClH/c1-5-13-24-22-18(23(28)25(2)3)9-8-11-20(22)27-16-14-26(15-17-27)19-10-6-7-12-21(19)29-4;/h6-12,24H,5,13-17H2,1-4H3;1H
InChIKeyUETHUYWZXVSSRK-UHFFFAOYSA-N
MW433.00 g/mol
LogP3.97
Rot. Bonds7

About 3-[4-(2-methoxyphenyl)piperazin-1-yl]-N,N-dimethyl-2-(propylamino)benzamide;hydrochloride

3-[4-(2-methoxyphenyl)piperazin-1-yl]-N,N-dimethyl-2-(propylamino)benzamide;hydrochloride (PubChem CID 22371024) has the molecular formula C23H33ClN4O2 and a molecular weight of 433.00 g/mol. Its IUPAC name is 3-[4-(2-methoxyphenyl)piperazin-1-yl]-N,N-dimethyl-2-(propylamino)benzamide;hydrochloride.

Molecular Properties

Compound Name3-[4-(2-methoxyphenyl)piperazin-1-yl]-N,N-dimethyl-2-(propylamino)benzamide;hydrochloride
PubChem CID22371024
Molecular FormulaC23H33ClN4O2
Molecular Weight433.00 g/mol
Exact Mass432.23
IUPAC Name3-[4-(2-methoxyphenyl)piperazin-1-yl]-N,N-dimethyl-2-(propylamino)benzamide;hydrochloride
SMILESCCCNc1c(C(=O)N(C)C)cccc1N1CCN(c2ccccc2OC)CC1.Cl
InChIInChI=1S/C23H32N4O2.ClH/c1-5-13-24-22-18(23(28)25(2)3)9-8-11-20(22)27-16-14-26(15-17-27)19-10-6-7-12-21(19)29-4;/h6-12,24H,5,13-17H2,1-4H3;1H
InChIKeyUETHUYWZXVSSRK-UHFFFAOYSA-N
XLogP3.97
TPSA48.05 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds7
Heavy Atoms30
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500433.00
LogP ≤ 53.97
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

2-[4-(2-methoxyphenyl)piperazin-1-yl]-N,N,5-trimethyl-3-(propylamino)benzamide;hydrochloride
CID 67704353
2-[2-[4-(2-methoxyphenyl)piperazin-1-yl]ethylamino]-N,N-dimethylbenzamide
CID 22458090
2-[4-(2-methoxyphenyl)piperazin-1-yl]-N,N-dimethyl-3-propoxybenzamide
CID 67704305
4-(2-methoxyphenyl)-N,N-dimethyl-3-piperazin-1-yl-2-(propylamino)benzamide
CID 22370979
6-chloro-2-[3-[4-(2-methoxyphenyl)piperazin-1-yl]propylamino]-N,N-dimethylpyridine-3-carboxamide;hydrochloride
CID 21473425
5-[4-(2-fluorophenyl)piperazin-1-yl]-N,N-dimethyl-4-(propylamino)pyridine-3-carboxamide
CID 67704321
5-chloro-2-[[4-(2-methoxyphenyl)piperazin-1-yl]-propylamino]-N,N-dimethylbenzamide;hydrochloride
CID 67704422
1-[4-(2-methoxyphenyl)piperazine-1-carbonyl]-N-propylcyclopropane-1-carboxamide
CID 108970253
2-[3-[4-(2-methoxyphenyl)piperazin-1-yl]propyl-methylamino]-N,N-dimethylpyridine-3-carboxamide;hydrochloride
CID 21473475
N,N,5-trimethyl-3-[4-(2-nitrophenyl)piperazin-1-yl]-2-(propylamino)benzamide;hydrochloride
CID 67704476
5-[4-(2-cyclopropylphenyl)piperazin-1-yl]-N,N-dimethyl-4-(propylamino)pyridine-3-carboxamide;hydrochloride
CID 67704522
N-butyl-4-(2-methoxyphenyl)piperazine-1-carboxamide
CID 6468080

Frequently Asked Questions

What is the IUPAC name of 3-[4-(2-methoxyphenyl)piperazin-1-yl]-N,N-dimethyl-2-(propylamino)benzamide;hydrochloride?
The IUPAC name of 3-[4-(2-methoxyphenyl)piperazin-1-yl]-N,N-dimethyl-2-(propylamino)benzamide;hydrochloride (CID 22371024) is 3-[4-(2-methoxyphenyl)piperazin-1-yl]-N,N-dimethyl-2-(propylamino)benzamide;hydrochloride.
What is the SMILES notation for 3-[4-(2-methoxyphenyl)piperazin-1-yl]-N,N-dimethyl-2-(propylamino)benzamide;hydrochloride?
The canonical SMILES for 3-[4-(2-methoxyphenyl)piperazin-1-yl]-N,N-dimethyl-2-(propylamino)benzamide;hydrochloride is CCCNc1c(C(=O)N(C)C)cccc1N1CCN(c2ccccc2OC)CC1.Cl.
What is the InChIKey of 3-[4-(2-methoxyphenyl)piperazin-1-yl]-N,N-dimethyl-2-(propylamino)benzamide;hydrochloride?
The InChIKey is UETHUYWZXVSSRK-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H32N4O2.ClH/c1-5-13-24-22-18(23(28)25(2)3)9-8-11-20(22)27-16-14-26(15-17-27)19-10-6-7-12-21(19)29-4;/h6-12,24H,5,13-17H2,1-4H3;1H.
What are the key properties of 3-[4-(2-methoxyphenyl)piperazin-1-yl]-N,N-dimethyl-2-(propylamino)benzamide;hydrochloride?
3-[4-(2-methoxyphenyl)piperazin-1-yl]-N,N-dimethyl-2-(propylamino)benzamide;hydrochloride has a molecular weight of 433.00 g/mol, XLogP of 3.97, 7 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[4-(2-methoxyphenyl)piperazin-1-yl]-N,N-dimethyl-2-(propylamino)benzamide;hydrochloride is sourced from PubChem (CID 22371024), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).