N,N-diethyl-4-[2-(2-methoxyphenyl)piperazine-1-carbonyl]benzamide;hydrochloride

C23H30ClN3O3 — CID 120733486

IUPACN,N-diethyl-4-[2-(2-methoxyphenyl)piperazine-1-carbonyl]benzamide;hydrochloride
SMILESCCN(CC)C(=O)c1ccc(C(=O)N2CCNCC2c2ccccc2OC)cc1.Cl
InChIInChI=1S/C23H29N3O3.ClH/c1-4-25(5-2)22(27)17-10-12-18(13-11-17)23(28)26-15-14-24-16-20(26)19-8-6-7-9-21(19)29-3;/h6-13,20,24H,4-5,14-16H2,1-3H3;1H
InChIKeyCUUICWINFRLGFS-UHFFFAOYSA-N
MW431.96 g/mol
LogP3.39
Rot. Bonds6

About N,N-diethyl-4-[2-(2-methoxyphenyl)piperazine-1-carbonyl]benzamide;hydrochloride

N,N-diethyl-4-[2-(2-methoxyphenyl)piperazine-1-carbonyl]benzamide;hydrochloride (PubChem CID 120733486) has the molecular formula C23H30ClN3O3 and a molecular weight of 431.96 g/mol. Its IUPAC name is N,N-diethyl-4-[2-(2-methoxyphenyl)piperazine-1-carbonyl]benzamide;hydrochloride.

Molecular Properties

Compound NameN,N-diethyl-4-[2-(2-methoxyphenyl)piperazine-1-carbonyl]benzamide;hydrochloride
PubChem CID120733486
Molecular FormulaC23H30ClN3O3
Molecular Weight431.96 g/mol
Exact Mass431.20
IUPAC NameN,N-diethyl-4-[2-(2-methoxyphenyl)piperazine-1-carbonyl]benzamide;hydrochloride
SMILESCCN(CC)C(=O)c1ccc(C(=O)N2CCNCC2c2ccccc2OC)cc1.Cl
InChIInChI=1S/C23H29N3O3.ClH/c1-4-25(5-2)22(27)17-10-12-18(13-11-17)23(28)26-15-14-24-16-20(26)19-8-6-7-9-21(19)29-3;/h6-13,20,24H,4-5,14-16H2,1-3H3;1H
InChIKeyCUUICWINFRLGFS-UHFFFAOYSA-N
XLogP3.39
TPSA61.88 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms30
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500431.96
LogP ≤ 53.39
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

(4-ethylphenyl)-[2-(2-methoxyphenyl)piperazin-1-yl]methanone
CID 120733353
4-[2-(2-chlorophenyl)piperazine-1-carbonyl]-N,N-diethylbenzamide
CID 120738630
[4-[[ethyl(propan-2-yl)amino]methyl]phenyl]-[2-(2-methoxyphenyl)piperazin-1-yl]methanone
CID 120732723
(3,4-diethoxyphenyl)-[2-(2-methoxyphenyl)piperazin-1-yl]methanone
CID 120733355
[2-(2-methoxyphenyl)piperazin-1-yl]-[4-(methylsulfanylmethyl)phenyl]methanone
CID 120734013
[2-(2-methoxyphenyl)piperazin-1-yl]-[4-(trifluoromethyl)phenyl]methanone
CID 120734460
[4-(cyclopropylmethoxy)phenyl]-[2-(2-methoxyphenyl)piperazin-1-yl]methanone;hydrochloride
CID 120733542
[4-[2-(2-methoxyphenyl)piperazine-1-carbonyl]phenyl]urea
CID 120733655
[2-(2-methoxyphenyl)piperazin-1-yl]-(3,4,5-trifluorophenyl)methanone
CID 120733240
2-(diethylamino)-1-[2-(2-methoxyphenyl)piperazin-1-yl]ethanone
CID 120733069
[2-(2-methoxyphenyl)piperazin-1-yl]-[4-(1,2,4-triazol-1-yl)phenyl]methanone
CID 120734009
[2-(2-methoxyphenyl)piperazin-1-yl]-pyridin-3-ylmethanone;dihydrochloride
CID 120732780

Frequently Asked Questions

What is the IUPAC name of N,N-diethyl-4-[2-(2-methoxyphenyl)piperazine-1-carbonyl]benzamide;hydrochloride?
The IUPAC name of N,N-diethyl-4-[2-(2-methoxyphenyl)piperazine-1-carbonyl]benzamide;hydrochloride (CID 120733486) is N,N-diethyl-4-[2-(2-methoxyphenyl)piperazine-1-carbonyl]benzamide;hydrochloride.
What is the SMILES notation for N,N-diethyl-4-[2-(2-methoxyphenyl)piperazine-1-carbonyl]benzamide;hydrochloride?
The canonical SMILES for N,N-diethyl-4-[2-(2-methoxyphenyl)piperazine-1-carbonyl]benzamide;hydrochloride is CCN(CC)C(=O)c1ccc(C(=O)N2CCNCC2c2ccccc2OC)cc1.Cl.
What is the InChIKey of N,N-diethyl-4-[2-(2-methoxyphenyl)piperazine-1-carbonyl]benzamide;hydrochloride?
The InChIKey is CUUICWINFRLGFS-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H29N3O3.ClH/c1-4-25(5-2)22(27)17-10-12-18(13-11-17)23(28)26-15-14-24-16-20(26)19-8-6-7-9-21(19)29-3;/h6-13,20,24H,4-5,14-16H2,1-3H3;1H.
What are the key properties of N,N-diethyl-4-[2-(2-methoxyphenyl)piperazine-1-carbonyl]benzamide;hydrochloride?
N,N-diethyl-4-[2-(2-methoxyphenyl)piperazine-1-carbonyl]benzamide;hydrochloride has a molecular weight of 431.96 g/mol, XLogP of 3.39, 6 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N,N-diethyl-4-[2-(2-methoxyphenyl)piperazine-1-carbonyl]benzamide;hydrochloride is sourced from PubChem (CID 120733486), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).