3,4-dimethoxy-N-(3-oxo-3-piperazin-1-ylpropyl)-N-(2-phenylethyl)benzamide

C24H31N3O4 — CID 50779264

IUPAC3,4-dimethoxy-N-(3-oxo-3-piperazin-1-ylpropyl)-N-(2-phenylethyl)benzamide
SMILESCOc1ccc(C(=O)N(CCC(=O)N2CCNCC2)CCc2ccccc2)cc1OC
InChIInChI=1S/C24H31N3O4/c1-30-21-9-8-20(18-22(21)31-2)24(29)27(14-10-19-6-4-3-5-7-19)15-11-23(28)26-16-12-25-13-17-26/h3-9,18,25H,10-17H2,1-2H3
InChIKeyWHNPYHXOFKFNGE-UHFFFAOYSA-N
MW425.53 g/mol
LogP2.21
Rot. Bonds9

About 3,4-dimethoxy-N-(3-oxo-3-piperazin-1-ylpropyl)-N-(2-phenylethyl)benzamide

3,4-dimethoxy-N-(3-oxo-3-piperazin-1-ylpropyl)-N-(2-phenylethyl)benzamide (PubChem CID 50779264) has the molecular formula C24H31N3O4 and a molecular weight of 425.53 g/mol. Its IUPAC name is 3,4-dimethoxy-N-(3-oxo-3-piperazin-1-ylpropyl)-N-(2-phenylethyl)benzamide.

Molecular Properties

Compound Name3,4-dimethoxy-N-(3-oxo-3-piperazin-1-ylpropyl)-N-(2-phenylethyl)benzamide
PubChem CID50779264
Molecular FormulaC24H31N3O4
Molecular Weight425.53 g/mol
Exact Mass425.23
IUPAC Name3,4-dimethoxy-N-(3-oxo-3-piperazin-1-ylpropyl)-N-(2-phenylethyl)benzamide
SMILESCOc1ccc(C(=O)N(CCC(=O)N2CCNCC2)CCc2ccccc2)cc1OC
InChIInChI=1S/C24H31N3O4/c1-30-21-9-8-20(18-22(21)31-2)24(29)27(14-10-19-6-4-3-5-7-19)15-11-23(28)26-16-12-25-13-17-26/h3-9,18,25H,10-17H2,1-2H3
InChIKeyWHNPYHXOFKFNGE-UHFFFAOYSA-N
XLogP2.21
TPSA71.11 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds9
Heavy Atoms31
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500425.53
LogP ≤ 52.21
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

N-cyclopentyl-3,4-dimethoxy-N-(3-oxo-3-piperazin-1-ylpropyl)benzamide
CID 50779422
N-[(4-bromophenyl)methyl]-3,4-dimethoxy-N-(2-oxo-2-piperazin-1-ylethyl)benzamide
CID 20934292
3,4,5-trimethoxy-N-[(3-methoxyphenyl)methyl]-N-(3-oxo-3-piperazin-1-ylpropyl)benzamide
CID 50779334
N-(2-hydroxyethyl)-3-methoxy-4-methyl-N-(2-phenylethyl)benzamide
CID 111122063
3-methoxy-N-(3-oxo-3-piperazin-1-ylpropyl)-N-(2-pyrrolidin-1-ylethyl)benzamide
CID 50779419
3-chloro-4-fluoro-N-[(2-methoxyphenyl)methyl]-N-(3-oxo-3-piperazin-1-ylpropyl)benzamide;2,2,2-trifluoroacetic acid
CID 146057177
1-[4-(3,4-dimethoxybenzoyl)piperazin-1-yl]-2-phenylethanone
CID 650859
N-[(3-chlorophenyl)methyl]-3-methoxy-N-(3-oxo-3-piperazin-1-ylpropyl)benzamide
CID 50779674
N-(2-methoxyethyl)-4-methyl-N-(3-oxo-3-piperazin-1-ylpropyl)benzamide
CID 50779269
N-benzyl-N-(3-oxo-3-piperazin-1-ylpropyl)acetamide
CID 119400405
N-(2-aminoethyl)-4-(difluoromethoxy)-3-methoxy-N-(2-phenylethyl)benzamide;hydrochloride
CID 120886341
4-bromo-N-(2-methoxyethyl)-N-(3-oxo-3-piperazin-1-ylpropyl)benzamide
CID 50779430

Frequently Asked Questions

What is the IUPAC name of 3,4-dimethoxy-N-(3-oxo-3-piperazin-1-ylpropyl)-N-(2-phenylethyl)benzamide?
The IUPAC name of 3,4-dimethoxy-N-(3-oxo-3-piperazin-1-ylpropyl)-N-(2-phenylethyl)benzamide (CID 50779264) is 3,4-dimethoxy-N-(3-oxo-3-piperazin-1-ylpropyl)-N-(2-phenylethyl)benzamide.
What is the SMILES notation for 3,4-dimethoxy-N-(3-oxo-3-piperazin-1-ylpropyl)-N-(2-phenylethyl)benzamide?
The canonical SMILES for 3,4-dimethoxy-N-(3-oxo-3-piperazin-1-ylpropyl)-N-(2-phenylethyl)benzamide is COc1ccc(C(=O)N(CCC(=O)N2CCNCC2)CCc2ccccc2)cc1OC.
What is the InChIKey of 3,4-dimethoxy-N-(3-oxo-3-piperazin-1-ylpropyl)-N-(2-phenylethyl)benzamide?
The InChIKey is WHNPYHXOFKFNGE-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H31N3O4/c1-30-21-9-8-20(18-22(21)31-2)24(29)27(14-10-19-6-4-3-5-7-19)15-11-23(28)26-16-12-25-13-17-26/h3-9,18,25H,10-17H2,1-2H3.
What are the key properties of 3,4-dimethoxy-N-(3-oxo-3-piperazin-1-ylpropyl)-N-(2-phenylethyl)benzamide?
3,4-dimethoxy-N-(3-oxo-3-piperazin-1-ylpropyl)-N-(2-phenylethyl)benzamide has a molecular weight of 425.53 g/mol, XLogP of 2.21, 9 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 3,4-dimethoxy-N-(3-oxo-3-piperazin-1-ylpropyl)-N-(2-phenylethyl)benzamide is sourced from PubChem (CID 50779264), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).