3-(dimethylamino)-N-(2-oxo-2-piperazin-1-ylethyl)-N-(2-phenylpropyl)benzamide

C24H32N4O2 — CID 20934261

IUPAC3-(dimethylamino)-N-(2-oxo-2-piperazin-1-ylethyl)-N-(2-phenylpropyl)benzamide
SMILESCC(CN(CC(=O)N1CCNCC1)C(=O)c1cccc(N(C)C)c1)c1ccccc1
InChIInChI=1S/C24H32N4O2/c1-19(20-8-5-4-6-9-20)17-28(18-23(29)27-14-12-25-13-15-27)24(30)21-10-7-11-22(16-21)26(2)3/h4-11,16,19,25H,12-15,17-18H2,1-3H3
InChIKeyFWRCQONHRVVCON-UHFFFAOYSA-N
MW408.55 g/mol
LogP2.43
Rot. Bonds7

About 3-(dimethylamino)-N-(2-oxo-2-piperazin-1-ylethyl)-N-(2-phenylpropyl)benzamide

3-(dimethylamino)-N-(2-oxo-2-piperazin-1-ylethyl)-N-(2-phenylpropyl)benzamide (PubChem CID 20934261) has the molecular formula C24H32N4O2 and a molecular weight of 408.55 g/mol. Its IUPAC name is 3-(dimethylamino)-N-(2-oxo-2-piperazin-1-ylethyl)-N-(2-phenylpropyl)benzamide.

Molecular Properties

Compound Name3-(dimethylamino)-N-(2-oxo-2-piperazin-1-ylethyl)-N-(2-phenylpropyl)benzamide
PubChem CID20934261
Molecular FormulaC24H32N4O2
Molecular Weight408.55 g/mol
Exact Mass408.25
IUPAC Name3-(dimethylamino)-N-(2-oxo-2-piperazin-1-ylethyl)-N-(2-phenylpropyl)benzamide
SMILESCC(CN(CC(=O)N1CCNCC1)C(=O)c1cccc(N(C)C)c1)c1ccccc1
InChIInChI=1S/C24H32N4O2/c1-19(20-8-5-4-6-9-20)17-28(18-23(29)27-14-12-25-13-15-27)24(30)21-10-7-11-22(16-21)26(2)3/h4-11,16,19,25H,12-15,17-18H2,1-3H3
InChIKeyFWRCQONHRVVCON-UHFFFAOYSA-N
XLogP2.43
TPSA55.89 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms30
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500408.55
LogP ≤ 52.43
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

3-acetamido-N-(2-oxo-2-piperazin-1-ylethyl)-N-[(2R)-2-phenylpropyl]benzamide
CID 92501968
3-fluoro-N-(3-oxo-3-piperazin-1-ylpropyl)-N-(2-phenylpropyl)benzamide
CID 50779377
3-chloro-N-(3-oxo-3-piperazin-1-ylpropyl)-N-[(2S)-2-phenylpropyl]benzamide
CID 93057910
3-(dimethylamino)-N-[(3-ethoxyphenyl)methyl]-N-(2-oxo-2-piperazin-1-ylethyl)benzamide
CID 20934294
4-fluoro-N-(3-oxo-3-piperazin-1-ylpropyl)-N-[(2S)-2-phenylpropyl]benzamide
CID 94078053
3-phenyl-1-piperazin-1-ylbutan-1-one;hydrochloride
CID 119401565
N-(3-oxo-3-piperazin-1-ylpropyl)-N-[(2R)-2-phenylpropyl]-4-(trifluoromethyl)benzamide
CID 93057923
2-[methyl(1-phenylethyl)amino]-1-piperazin-1-ylethanone
CID 61018802
N-(2-phenylpropyl)-N-(2-piperazin-1-ylsulfonylethyl)benzamide
CID 50820985
4-(dimethylamino)-N-(2-oxo-2-piperazin-1-ylethyl)-N-pentylbenzamide
CID 20934235
2,4,5-trimethyl-N-(2-oxo-2-piperazin-1-ylethyl)-N-[(2S)-2-phenylpropyl]benzenesulfonamide
CID 92501993
4-cyano-N-(3-oxo-3-piperazin-1-ylpropyl)-N-(2-phenylpropyl)benzamide;2,2,2-trifluoroacetic acid
CID 146071301

Frequently Asked Questions

What is the IUPAC name of 3-(dimethylamino)-N-(2-oxo-2-piperazin-1-ylethyl)-N-(2-phenylpropyl)benzamide?
The IUPAC name of 3-(dimethylamino)-N-(2-oxo-2-piperazin-1-ylethyl)-N-(2-phenylpropyl)benzamide (CID 20934261) is 3-(dimethylamino)-N-(2-oxo-2-piperazin-1-ylethyl)-N-(2-phenylpropyl)benzamide.
What is the SMILES notation for 3-(dimethylamino)-N-(2-oxo-2-piperazin-1-ylethyl)-N-(2-phenylpropyl)benzamide?
The canonical SMILES for 3-(dimethylamino)-N-(2-oxo-2-piperazin-1-ylethyl)-N-(2-phenylpropyl)benzamide is CC(CN(CC(=O)N1CCNCC1)C(=O)c1cccc(N(C)C)c1)c1ccccc1.
What is the InChIKey of 3-(dimethylamino)-N-(2-oxo-2-piperazin-1-ylethyl)-N-(2-phenylpropyl)benzamide?
The InChIKey is FWRCQONHRVVCON-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H32N4O2/c1-19(20-8-5-4-6-9-20)17-28(18-23(29)27-14-12-25-13-15-27)24(30)21-10-7-11-22(16-21)26(2)3/h4-11,16,19,25H,12-15,17-18H2,1-3H3.
What are the key properties of 3-(dimethylamino)-N-(2-oxo-2-piperazin-1-ylethyl)-N-(2-phenylpropyl)benzamide?
3-(dimethylamino)-N-(2-oxo-2-piperazin-1-ylethyl)-N-(2-phenylpropyl)benzamide has a molecular weight of 408.55 g/mol, XLogP of 2.43, 7 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(dimethylamino)-N-(2-oxo-2-piperazin-1-ylethyl)-N-(2-phenylpropyl)benzamide is sourced from PubChem (CID 20934261), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).