2-[4-(2-methoxyphenyl)piperazin-1-yl]-N,N-dimethyl-3-propoxybenzamide

C23H31N3O3 — CID 67704305

IUPAC2-[4-(2-methoxyphenyl)piperazin-1-yl]-N,N-dimethyl-3-propoxybenzamide
SMILESCCCOc1cccc(C(=O)N(C)C)c1N1CCN(c2ccccc2OC)CC1
InChIInChI=1S/C23H31N3O3/c1-5-17-29-21-12-8-9-18(23(27)24(2)3)22(21)26-15-13-25(14-16-26)19-10-6-7-11-20(19)28-4/h6-12H,5,13-17H2,1-4H3
InChIKeyJLUGLNSYHNGUMX-UHFFFAOYSA-N
MW397.52 g/mol
LogP3.51
Rot. Bonds7

About 2-[4-(2-methoxyphenyl)piperazin-1-yl]-N,N-dimethyl-3-propoxybenzamide

2-[4-(2-methoxyphenyl)piperazin-1-yl]-N,N-dimethyl-3-propoxybenzamide (PubChem CID 67704305) has the molecular formula C23H31N3O3 and a molecular weight of 397.52 g/mol. Its IUPAC name is 2-[4-(2-methoxyphenyl)piperazin-1-yl]-N,N-dimethyl-3-propoxybenzamide.

Molecular Properties

Compound Name2-[4-(2-methoxyphenyl)piperazin-1-yl]-N,N-dimethyl-3-propoxybenzamide
PubChem CID67704305
Molecular FormulaC23H31N3O3
Molecular Weight397.52 g/mol
Exact Mass397.24
IUPAC Name2-[4-(2-methoxyphenyl)piperazin-1-yl]-N,N-dimethyl-3-propoxybenzamide
SMILESCCCOc1cccc(C(=O)N(C)C)c1N1CCN(c2ccccc2OC)CC1
InChIInChI=1S/C23H31N3O3/c1-5-17-29-21-12-8-9-18(23(27)24(2)3)22(21)26-15-13-25(14-16-26)19-10-6-7-11-20(19)28-4/h6-12H,5,13-17H2,1-4H3
InChIKeyJLUGLNSYHNGUMX-UHFFFAOYSA-N
XLogP3.51
TPSA45.25 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds7
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500397.52
LogP ≤ 53.51
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,5-trimethyl-3-(propylamino)benzamide;hydrochloride
CID 67704353
2-[2-[4-(2-methoxyphenyl)piperazin-1-yl]ethylamino]-N,N-dimethylbenzamide
CID 22458090
5-chloro-2-[[4-(2-methoxyphenyl)piperazin-1-yl]-propylamino]-N,N-dimethylbenzamide;hydrochloride
CID 67704422
2-[3-[4-(2-methoxyphenyl)piperazin-1-yl]propyl-methylamino]-N,N-dimethylpyridine-3-carboxamide;hydrochloride
CID 21473475
[2-[4-(2-methoxyphenyl)piperazine-1-carbonyl]phenyl]-[4-(2-methoxyphenyl)piperazin-1-yl]methanone
CID 4116089
N-ethyl-4-(2-methoxyphenyl)-N-phenylpiperazine-1-carboxamide
CID 108990100
N-butyl-4-(2-methoxyphenyl)piperazine-1-carboxamide
CID 6468080
[2-[4-(2-methoxyphenyl)piperazin-1-yl]-2-oxoethyl] 4-propoxybenzoate
CID 8842529
4-[3-[4-(2-methoxyphenyl)piperazin-1-yl]-3-oxopropyl]-N,N-dimethylbenzamide
CID 110300015
2-ethoxy-N-[2-[4-(2-methoxyphenyl)piperazin-1-yl]-2-oxoethyl]benzamide
CID 7494427
2-ethoxy-N-[2-[4-(2-methoxyphenyl)piperazin-1-yl]ethyl]benzamide
CID 13318490

Frequently Asked Questions

What is the IUPAC name of 2-[4-(2-methoxyphenyl)piperazin-1-yl]-N,N-dimethyl-3-propoxybenzamide?
The IUPAC name of 2-[4-(2-methoxyphenyl)piperazin-1-yl]-N,N-dimethyl-3-propoxybenzamide (CID 67704305) is 2-[4-(2-methoxyphenyl)piperazin-1-yl]-N,N-dimethyl-3-propoxybenzamide.
What is the SMILES notation for 2-[4-(2-methoxyphenyl)piperazin-1-yl]-N,N-dimethyl-3-propoxybenzamide?
The canonical SMILES for 2-[4-(2-methoxyphenyl)piperazin-1-yl]-N,N-dimethyl-3-propoxybenzamide is CCCOc1cccc(C(=O)N(C)C)c1N1CCN(c2ccccc2OC)CC1.
What is the InChIKey of 2-[4-(2-methoxyphenyl)piperazin-1-yl]-N,N-dimethyl-3-propoxybenzamide?
The InChIKey is JLUGLNSYHNGUMX-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H31N3O3/c1-5-17-29-21-12-8-9-18(23(27)24(2)3)22(21)26-15-13-25(14-16-26)19-10-6-7-11-20(19)28-4/h6-12H,5,13-17H2,1-4H3.
What are the key properties of 2-[4-(2-methoxyphenyl)piperazin-1-yl]-N,N-dimethyl-3-propoxybenzamide?
2-[4-(2-methoxyphenyl)piperazin-1-yl]-N,N-dimethyl-3-propoxybenzamide has a molecular weight of 397.52 g/mol, XLogP of 3.51, 7 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[4-(2-methoxyphenyl)piperazin-1-yl]-N,N-dimethyl-3-propoxybenzamide is sourced from PubChem (CID 67704305), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).