3-(2,3-dimethylpiperazine-1-carbonyl)-N,N-dipropylbenzamide

C20H31N3O2 — CID 120569496

IUPAC3-(2,3-dimethylpiperazine-1-carbonyl)-N,N-dipropylbenzamide
SMILESCCCN(CCC)C(=O)c1cccc(C(=O)N2CCNC(C)C2C)c1
InChIInChI=1S/C20H31N3O2/c1-5-11-22(12-6-2)19(24)17-8-7-9-18(14-17)20(25)23-13-10-21-15(3)16(23)4/h7-9,14-16,21H,5-6,10-13H2,1-4H3
InChIKeyITVJIXWMSPSJRM-UHFFFAOYSA-N
MW345.49 g/mol
LogP2.77
Rot. Bonds6

About 3-(2,3-dimethylpiperazine-1-carbonyl)-N,N-dipropylbenzamide

3-(2,3-dimethylpiperazine-1-carbonyl)-N,N-dipropylbenzamide (PubChem CID 120569496) has the molecular formula C20H31N3O2 and a molecular weight of 345.49 g/mol. Its IUPAC name is 3-(2,3-dimethylpiperazine-1-carbonyl)-N,N-dipropylbenzamide.

Molecular Properties

Compound Name3-(2,3-dimethylpiperazine-1-carbonyl)-N,N-dipropylbenzamide
PubChem CID120569496
Molecular FormulaC20H31N3O2
Molecular Weight345.49 g/mol
Exact Mass345.24
IUPAC Name3-(2,3-dimethylpiperazine-1-carbonyl)-N,N-dipropylbenzamide
SMILESCCCN(CCC)C(=O)c1cccc(C(=O)N2CCNC(C)C2C)c1
InChIInChI=1S/C20H31N3O2/c1-5-11-22(12-6-2)19(24)17-8-7-9-18(14-17)20(25)23-13-10-21-15(3)16(23)4/h7-9,14-16,21H,5-6,10-13H2,1-4H3
InChIKeyITVJIXWMSPSJRM-UHFFFAOYSA-N
XLogP2.77
TPSA52.65 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500345.49
LogP ≤ 52.77
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

[3-(dimethylamino)phenyl]-(2,3-dimethylpiperazin-1-yl)methanone
CID 82302377
3-(2,3-dimethylpiperazine-1-carbonyl)-N-methylbenzamide;hydrochloride
CID 120569899
[3-[(dimethylamino)methyl]phenyl]-(2,3-dimethylpiperazin-1-yl)methanone;dihydrochloride
CID 120571367
3-(4-methylpiperidine-1-carbonyl)-N,N-dipropylbenzamide
CID 109052323
3-[(3R)-3-aminopyrrolidine-1-carbonyl]-N,N-dipropylbenzamide
CID 119410677
(3-cyclopentyloxyphenyl)-(2,3-dimethylpiperazin-1-yl)methanone;hydrochloride
CID 120571016
(3,4-difluorophenyl)-(2,3-dimethylpiperazin-1-yl)methanone;hydrochloride
CID 120571214
(2,3-dimethylpiperazin-1-yl)-[3-(tetrazol-1-yl)phenyl]methanone;hydrochloride
CID 120572200
(2,3-dimethylpiperazin-1-yl)-(3-iodo-4-methylphenyl)methanone
CID 120570666
(2,3-dimethylpiperazin-1-yl)-(5,6,7,8-tetrahydronaphthalen-2-yl)methanone;hydrochloride
CID 120570248
(3,5-dimethylphenyl)-(2,3-dimethylpiperazin-1-yl)methanone;hydrochloride
CID 120569818
3-[4-(methylaminomethyl)piperidine-1-carbonyl]-N,N-dipropylbenzamide
CID 119544153

Frequently Asked Questions

What is the IUPAC name of 3-(2,3-dimethylpiperazine-1-carbonyl)-N,N-dipropylbenzamide?
The IUPAC name of 3-(2,3-dimethylpiperazine-1-carbonyl)-N,N-dipropylbenzamide (CID 120569496) is 3-(2,3-dimethylpiperazine-1-carbonyl)-N,N-dipropylbenzamide.
What is the SMILES notation for 3-(2,3-dimethylpiperazine-1-carbonyl)-N,N-dipropylbenzamide?
The canonical SMILES for 3-(2,3-dimethylpiperazine-1-carbonyl)-N,N-dipropylbenzamide is CCCN(CCC)C(=O)c1cccc(C(=O)N2CCNC(C)C2C)c1.
What is the InChIKey of 3-(2,3-dimethylpiperazine-1-carbonyl)-N,N-dipropylbenzamide?
The InChIKey is ITVJIXWMSPSJRM-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H31N3O2/c1-5-11-22(12-6-2)19(24)17-8-7-9-18(14-17)20(25)23-13-10-21-15(3)16(23)4/h7-9,14-16,21H,5-6,10-13H2,1-4H3.
What are the key properties of 3-(2,3-dimethylpiperazine-1-carbonyl)-N,N-dipropylbenzamide?
3-(2,3-dimethylpiperazine-1-carbonyl)-N,N-dipropylbenzamide has a molecular weight of 345.49 g/mol, XLogP of 2.77, 6 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(2,3-dimethylpiperazine-1-carbonyl)-N,N-dipropylbenzamide is sourced from PubChem (CID 120569496), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).