N-[2-[4-(3-cyclopentylpropanoyl)piperazin-1-yl]-2-oxoethyl]-3,4-dimethylbenzamide

C23H33N3O3 — CID 38607876

IUPACN-[2-[4-(3-cyclopentylpropanoyl)piperazin-1-yl]-2-oxoethyl]-3,4-dimethylbenzamide
SMILESCc1ccc(C(=O)NCC(=O)N2CCN(C(=O)CCC3CCCC3)CC2)cc1C
InChIInChI=1S/C23H33N3O3/c1-17-7-9-20(15-18(17)2)23(29)24-16-22(28)26-13-11-25(12-14-26)21(27)10-8-19-5-3-4-6-19/h7,9,15,19H,3-6,8,10-14,16H2,1-2H3,(H,24,29)
InChIKeyGVVBMSPJRGBGMU-UHFFFAOYSA-N
MW399.54 g/mol
LogP2.67
Rot. Bonds6

About N-[2-[4-(3-cyclopentylpropanoyl)piperazin-1-yl]-2-oxoethyl]-3,4-dimethylbenzamide

N-[2-[4-(3-cyclopentylpropanoyl)piperazin-1-yl]-2-oxoethyl]-3,4-dimethylbenzamide (PubChem CID 38607876) has the molecular formula C23H33N3O3 and a molecular weight of 399.54 g/mol. Its IUPAC name is N-[2-[4-(3-cyclopentylpropanoyl)piperazin-1-yl]-2-oxoethyl]-3,4-dimethylbenzamide.

Molecular Properties

Compound NameN-[2-[4-(3-cyclopentylpropanoyl)piperazin-1-yl]-2-oxoethyl]-3,4-dimethylbenzamide
PubChem CID38607876
Molecular FormulaC23H33N3O3
Molecular Weight399.54 g/mol
Exact Mass399.25
IUPAC NameN-[2-[4-(3-cyclopentylpropanoyl)piperazin-1-yl]-2-oxoethyl]-3,4-dimethylbenzamide
SMILESCc1ccc(C(=O)NCC(=O)N2CCN(C(=O)CCC3CCCC3)CC2)cc1C
InChIInChI=1S/C23H33N3O3/c1-17-7-9-20(15-18(17)2)23(29)24-16-22(28)26-13-11-25(12-14-26)21(27)10-8-19-5-3-4-6-19/h7,9,15,19H,3-6,8,10-14,16H2,1-2H3,(H,24,29)
InChIKeyGVVBMSPJRGBGMU-UHFFFAOYSA-N
XLogP2.67
TPSA69.72 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500399.54
LogP ≤ 52.67
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

3,4-dimethyl-N-(2-oxo-2-piperazin-1-ylethyl)benzamide
CID 28708769
3,4-dimethyl-N-[2-oxo-2-(4-pyridin-4-ylpiperazin-1-yl)ethyl]benzamide
CID 9254212
N-(cyclohexylmethyl)-3,4-dimethylbenzamide
CID 55349047
3,4-dimethyl-N-[2-[4-(morpholine-4-carbonyl)piperidin-1-yl]-2-oxoethyl]benzamide
CID 38491208
N-[2-(2,6-dimethylmorpholin-4-yl)-2-oxoethyl]-3,4-dimethylbenzamide
CID 51160837
3,4-dimethyl-N-[2-[(3R)-3-methyl-1,4-dioxa-8-azaspiro[4.5]decan-8-yl]-2-oxoethyl]benzamide
CID 95633023
3,4-dimethyl-N-[2-[(2S)-2-methylmorpholin-4-yl]-2-oxoethyl]benzamide
CID 42001425
N-(2-cyclopentylethyl)-4-fluoro-3-methylbenzamide
CID 63212188
4-fluoro-3-methyl-N-(2-oxo-2-piperazin-1-ylethyl)benzamide
CID 63213553
N-[4-[4-(3-cyclopentylpropanoyl)piperazin-1-yl]phenyl]-4-methylbenzamide
CID 1056019
N-cyclohexyl-3-methyl-4-[[2-oxo-2-[(2-oxo-2-pyrrolidin-1-ylethyl)amino]ethyl]amino]benzamide
CID 60561835
N-(2-cyclopentylethyl)-3-hydroxy-4-methylbenzamide
CID 54932367

Frequently Asked Questions

What is the IUPAC name of N-[2-[4-(3-cyclopentylpropanoyl)piperazin-1-yl]-2-oxoethyl]-3,4-dimethylbenzamide?
The IUPAC name of N-[2-[4-(3-cyclopentylpropanoyl)piperazin-1-yl]-2-oxoethyl]-3,4-dimethylbenzamide (CID 38607876) is N-[2-[4-(3-cyclopentylpropanoyl)piperazin-1-yl]-2-oxoethyl]-3,4-dimethylbenzamide.
What is the SMILES notation for N-[2-[4-(3-cyclopentylpropanoyl)piperazin-1-yl]-2-oxoethyl]-3,4-dimethylbenzamide?
The canonical SMILES for N-[2-[4-(3-cyclopentylpropanoyl)piperazin-1-yl]-2-oxoethyl]-3,4-dimethylbenzamide is Cc1ccc(C(=O)NCC(=O)N2CCN(C(=O)CCC3CCCC3)CC2)cc1C.
What is the InChIKey of N-[2-[4-(3-cyclopentylpropanoyl)piperazin-1-yl]-2-oxoethyl]-3,4-dimethylbenzamide?
The InChIKey is GVVBMSPJRGBGMU-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H33N3O3/c1-17-7-9-20(15-18(17)2)23(29)24-16-22(28)26-13-11-25(12-14-26)21(27)10-8-19-5-3-4-6-19/h7,9,15,19H,3-6,8,10-14,16H2,1-2H3,(H,24,29).
What are the key properties of N-[2-[4-(3-cyclopentylpropanoyl)piperazin-1-yl]-2-oxoethyl]-3,4-dimethylbenzamide?
N-[2-[4-(3-cyclopentylpropanoyl)piperazin-1-yl]-2-oxoethyl]-3,4-dimethylbenzamide has a molecular weight of 399.54 g/mol, XLogP of 2.67, 6 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-[4-(3-cyclopentylpropanoyl)piperazin-1-yl]-2-oxoethyl]-3,4-dimethylbenzamide is sourced from PubChem (CID 38607876), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).