3-acetamido-N-(2-oxo-2-piperazin-1-ylethyl)-N-[(2R)-2-phenylpropyl]benzamide

C24H30N4O3 — CID 92501968

IUPAC3-acetamido-N-(2-oxo-2-piperazin-1-ylethyl)-N-[(2R)-2-phenylpropyl]benzamide
SMILESCC(=O)Nc1cccc(C(=O)N(CC(=O)N2CCNCC2)C[C@H](C)c2ccccc2)c1
InChIInChI=1S/C24H30N4O3/c1-18(20-7-4-3-5-8-20)16-28(17-23(30)27-13-11-25-12-14-27)24(31)21-9-6-10-22(15-21)26-19(2)29/h3-10,15,18,25H,11-14,16-17H2,1-2H3,(H,26,29)/t18-/m0/s1
InChIKeyJOJQQUIRIXBZEZ-SFHVURJKSA-N
MW422.53 g/mol
LogP2.32
Rot. Bonds7

About 3-acetamido-N-(2-oxo-2-piperazin-1-ylethyl)-N-[(2R)-2-phenylpropyl]benzamide

3-acetamido-N-(2-oxo-2-piperazin-1-ylethyl)-N-[(2R)-2-phenylpropyl]benzamide (PubChem CID 92501968) has the molecular formula C24H30N4O3 and a molecular weight of 422.53 g/mol. Its IUPAC name is 3-acetamido-N-(2-oxo-2-piperazin-1-ylethyl)-N-[(2R)-2-phenylpropyl]benzamide.

Molecular Properties

Compound Name3-acetamido-N-(2-oxo-2-piperazin-1-ylethyl)-N-[(2R)-2-phenylpropyl]benzamide
PubChem CID92501968
Molecular FormulaC24H30N4O3
Molecular Weight422.53 g/mol
Exact Mass422.23
IUPAC Name3-acetamido-N-(2-oxo-2-piperazin-1-ylethyl)-N-[(2R)-2-phenylpropyl]benzamide
SMILESCC(=O)Nc1cccc(C(=O)N(CC(=O)N2CCNCC2)C[C@H](C)c2ccccc2)c1
InChIInChI=1S/C24H30N4O3/c1-18(20-7-4-3-5-8-20)16-28(17-23(30)27-13-11-25-12-14-27)24(31)21-9-6-10-22(15-21)26-19(2)29/h3-10,15,18,25H,11-14,16-17H2,1-2H3,(H,26,29)/t18-/m0/s1
InChIKeyJOJQQUIRIXBZEZ-SFHVURJKSA-N
XLogP2.32
TPSA81.75 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms31
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500422.53
LogP ≤ 52.32
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

3-(dimethylamino)-N-(2-oxo-2-piperazin-1-ylethyl)-N-(2-phenylpropyl)benzamide
CID 20934261
3-acetamido-N-(2-methylpropyl)-N-(3-oxo-3-piperazin-1-ylpropyl)benzamide
CID 50779586
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-acetamido-N-[2-(diethylamino)ethyl]-N-(3-oxo-3-piperazin-1-ylpropyl)benzamide
CID 50779385
3-acetamido-N-(3-oxo-3-piperazin-1-ylpropyl)-N-pentylbenzamide
CID 50779389
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-(2-oxo-2-piperazin-1-ylethyl)amino]-N-(3-propan-2-ylphenyl)acetamide
CID 119914970
4-acetamido-N-[(2-chlorophenyl)methyl]-N-(2-oxo-2-piperazin-1-ylethyl)benzamide
CID 46332945
3-acetamido-N-[(1-ethylpyrrolidin-2-yl)methyl]-N-(3-oxo-3-piperazin-1-ylpropyl)benzamide
CID 46323117

Frequently Asked Questions

What is the IUPAC name of 3-acetamido-N-(2-oxo-2-piperazin-1-ylethyl)-N-[(2R)-2-phenylpropyl]benzamide?
The IUPAC name of 3-acetamido-N-(2-oxo-2-piperazin-1-ylethyl)-N-[(2R)-2-phenylpropyl]benzamide (CID 92501968) is 3-acetamido-N-(2-oxo-2-piperazin-1-ylethyl)-N-[(2R)-2-phenylpropyl]benzamide.
What is the SMILES notation for 3-acetamido-N-(2-oxo-2-piperazin-1-ylethyl)-N-[(2R)-2-phenylpropyl]benzamide?
The canonical SMILES for 3-acetamido-N-(2-oxo-2-piperazin-1-ylethyl)-N-[(2R)-2-phenylpropyl]benzamide is CC(=O)Nc1cccc(C(=O)N(CC(=O)N2CCNCC2)C[C@H](C)c2ccccc2)c1.
What is the InChIKey of 3-acetamido-N-(2-oxo-2-piperazin-1-ylethyl)-N-[(2R)-2-phenylpropyl]benzamide?
The InChIKey is JOJQQUIRIXBZEZ-SFHVURJKSA-N. The full InChI is InChI=1S/C24H30N4O3/c1-18(20-7-4-3-5-8-20)16-28(17-23(30)27-13-11-25-12-14-27)24(31)21-9-6-10-22(15-21)26-19(2)29/h3-10,15,18,25H,11-14,16-17H2,1-2H3,(H,26,29)/t18-/m0/s1.
What are the key properties of 3-acetamido-N-(2-oxo-2-piperazin-1-ylethyl)-N-[(2R)-2-phenylpropyl]benzamide?
3-acetamido-N-(2-oxo-2-piperazin-1-ylethyl)-N-[(2R)-2-phenylpropyl]benzamide has a molecular weight of 422.53 g/mol, XLogP of 2.32, 7 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-acetamido-N-(2-oxo-2-piperazin-1-ylethyl)-N-[(2R)-2-phenylpropyl]benzamide is sourced from PubChem (CID 92501968), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).