4-(2-methoxyphenyl)-N,N-dimethyl-3-piperazin-1-yl-2-(propylamino)benzamide

C23H32N4O2 — CID 22370979

IUPAC4-(2-methoxyphenyl)-N,N-dimethyl-3-piperazin-1-yl-2-(propylamino)benzamide
SMILESCCCNc1c(C(=O)N(C)C)ccc(-c2ccccc2OC)c1N1CCNCC1
InChIInChI=1S/C23H32N4O2/c1-5-12-25-21-19(23(28)26(2)3)11-10-18(17-8-6-7-9-20(17)29-4)22(21)27-15-13-24-14-16-27/h6-11,24-25H,5,12-16H2,1-4H3
InChIKeyQBJIOPONPLKLRE-UHFFFAOYSA-N
MW396.54 g/mol
LogP3.30
Rot. Bonds7

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

4-(2-methoxyphenyl)-N,N-dimethyl-3-piperazin-1-yl-2-(propylamino)benzamide (PubChem CID 22370979) has the molecular formula C23H32N4O2 and a molecular weight of 396.54 g/mol. Its IUPAC name is 4-(2-methoxyphenyl)-N,N-dimethyl-3-piperazin-1-yl-2-(propylamino)benzamide.

Molecular Properties

Compound Name4-(2-methoxyphenyl)-N,N-dimethyl-3-piperazin-1-yl-2-(propylamino)benzamide
PubChem CID22370979
Molecular FormulaC23H32N4O2
Molecular Weight396.54 g/mol
Exact Mass396.25
IUPAC Name4-(2-methoxyphenyl)-N,N-dimethyl-3-piperazin-1-yl-2-(propylamino)benzamide
SMILESCCCNc1c(C(=O)N(C)C)ccc(-c2ccccc2OC)c1N1CCNCC1
InChIInChI=1S/C23H32N4O2/c1-5-12-25-21-19(23(28)26(2)3)11-10-18(17-8-6-7-9-20(17)29-4)22(21)27-15-13-24-14-16-27/h6-11,24-25H,5,12-16H2,1-4H3
InChIKeyQBJIOPONPLKLRE-UHFFFAOYSA-N
XLogP3.30
TPSA56.84 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds7
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500396.54
LogP ≤ 53.30
H-Bond Donors ≤ 52
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,5-trimethyl-3-(propylamino)benzamide;hydrochloride
CID 67704353
2-[4-(2-methoxyphenyl)piperazin-1-yl]-N,N-dimethyl-3-propoxybenzamide
CID 67704305
2-[2-[4-(2-methoxyphenyl)piperazin-1-yl]ethylamino]-N,N-dimethylbenzamide
CID 22458090
N-[2-(2-methoxyphenyl)ethyl]piperazine-1-carboxamide
CID 82091281
3-butyl-4-(2-methoxyphenyl)-9-oxo-1-piperazin-1-ylfluorene-2-carboxamide
CID 67614035
6-[4-(4-fluoro-2-methoxyphenyl)piperazin-1-yl]-N,N-dimethyl-2-(propylamino)pyridine-3-carboxamide
CID 67704408
5-(2-methoxyphenyl)-4-piperazin-1-yl-1H-pyrrolo[2,3-b]pyridine
CID 174608249
5-[4-(2-fluorophenyl)piperazin-1-yl]-N,N-dimethyl-4-(propylamino)pyridine-3-carboxamide
CID 67704321
2-acetamido-3-methoxy-N,N-dimethylbenzamide
CID 140972358
N-[3-(2-methoxyphenyl)-3-methylpentyl]piperazine-1-carboxamide
CID 131922320
4-(2-hydroxyphenyl)-2-methyl-3-piperazin-1-ylbenzamide
CID 23433367

Frequently Asked Questions

What is the IUPAC name of 4-(2-methoxyphenyl)-N,N-dimethyl-3-piperazin-1-yl-2-(propylamino)benzamide?
The IUPAC name of 4-(2-methoxyphenyl)-N,N-dimethyl-3-piperazin-1-yl-2-(propylamino)benzamide (CID 22370979) is 4-(2-methoxyphenyl)-N,N-dimethyl-3-piperazin-1-yl-2-(propylamino)benzamide.
What is the SMILES notation for 4-(2-methoxyphenyl)-N,N-dimethyl-3-piperazin-1-yl-2-(propylamino)benzamide?
The canonical SMILES for 4-(2-methoxyphenyl)-N,N-dimethyl-3-piperazin-1-yl-2-(propylamino)benzamide is CCCNc1c(C(=O)N(C)C)ccc(-c2ccccc2OC)c1N1CCNCC1.
What is the InChIKey of 4-(2-methoxyphenyl)-N,N-dimethyl-3-piperazin-1-yl-2-(propylamino)benzamide?
The InChIKey is QBJIOPONPLKLRE-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H32N4O2/c1-5-12-25-21-19(23(28)26(2)3)11-10-18(17-8-6-7-9-20(17)29-4)22(21)27-15-13-24-14-16-27/h6-11,24-25H,5,12-16H2,1-4H3.
What are the key properties of 4-(2-methoxyphenyl)-N,N-dimethyl-3-piperazin-1-yl-2-(propylamino)benzamide?
4-(2-methoxyphenyl)-N,N-dimethyl-3-piperazin-1-yl-2-(propylamino)benzamide has a molecular weight of 396.54 g/mol, XLogP of 3.30, 7 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(2-methoxyphenyl)-N,N-dimethyl-3-piperazin-1-yl-2-(propylamino)benzamide is sourced from PubChem (CID 22370979), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).