2,4-dichloro-N-[4-methyl-1-oxo-1-(3-oxopiperazin-1-yl)pentan-2-yl]benzamide

C17H21Cl2N3O3 — CID 42910019

IUPAC2,4-dichloro-N-[4-methyl-1-oxo-1-(3-oxopiperazin-1-yl)pentan-2-yl]benzamide
SMILESCC(C)CC(NC(=O)c1ccc(Cl)cc1Cl)C(=O)N1CCNC(=O)C1
InChIInChI=1S/C17H21Cl2N3O3/c1-10(2)7-14(17(25)22-6-5-20-15(23)9-22)21-16(24)12-4-3-11(18)8-13(12)19/h3-4,8,10,14H,5-7,9H2,1-2H3,(H,20,23)(H,21,24)
InChIKeyKPQKEIFFACGGJE-UHFFFAOYSA-N
MW386.28 g/mol
LogP2.10
Rot. Bonds5

About 2,4-dichloro-N-[4-methyl-1-oxo-1-(3-oxopiperazin-1-yl)pentan-2-yl]benzamide

2,4-dichloro-N-[4-methyl-1-oxo-1-(3-oxopiperazin-1-yl)pentan-2-yl]benzamide (PubChem CID 42910019) has the molecular formula C17H21Cl2N3O3 and a molecular weight of 386.28 g/mol. Its IUPAC name is 2,4-dichloro-N-[4-methyl-1-oxo-1-(3-oxopiperazin-1-yl)pentan-2-yl]benzamide.

Molecular Properties

Compound Name2,4-dichloro-N-[4-methyl-1-oxo-1-(3-oxopiperazin-1-yl)pentan-2-yl]benzamide
PubChem CID42910019
Molecular FormulaC17H21Cl2N3O3
Molecular Weight386.28 g/mol
Exact Mass385.10
IUPAC Name2,4-dichloro-N-[4-methyl-1-oxo-1-(3-oxopiperazin-1-yl)pentan-2-yl]benzamide
SMILESCC(C)CC(NC(=O)c1ccc(Cl)cc1Cl)C(=O)N1CCNC(=O)C1
InChIInChI=1S/C17H21Cl2N3O3/c1-10(2)7-14(17(25)22-6-5-20-15(23)9-22)21-16(24)12-4-3-11(18)8-13(12)19/h3-4,8,10,14H,5-7,9H2,1-2H3,(H,20,23)(H,21,24)
InChIKeyKPQKEIFFACGGJE-UHFFFAOYSA-N
XLogP2.10
TPSA78.51 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500386.28
LogP ≤ 52.10
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

N-[1-(4-benzoylpiperidin-1-yl)-4-methyl-1-oxopentan-2-yl]-2,4-dichlorobenzamide
CID 24682927
2,4-dichloro-N-[4-methyl-1-[4-(2-morpholin-4-ylacetyl)piperazin-1-yl]-1-oxopentan-2-yl]benzamide
CID 43051412
2,4-dichloro-N-[1-[4-(3-hydroxyphenyl)piperazin-1-yl]-4-methyl-1-oxopentan-2-yl]benzamide
CID 112800513
N-[(2S)-1-amino-4-methyl-1-oxopentan-2-yl]-2,4-dichlorobenzamide
CID 40804285
4-(2,4-dichlorobenzoyl)piperazin-2-one
CID 30288935
N-[(2R)-1-[4-(1,3-benzodioxol-5-ylmethyl)piperazin-1-yl]-4-methyl-1-oxopentan-2-yl]-2,4-dichlorobenzamide
CID 26057214
2,4-dichloro-N-[1-(2-hydroxyethylamino)-4-methyl-1-oxopentan-2-yl]benzamide
CID 78783255
2,4-dichloro-N-[(2S)-1-(3-hydroxypropylamino)-4-methyl-1-oxopentan-2-yl]benzamide
CID 98001708
2,4-dichloro-N-[(2S)-1-[2-(2-chlorobenzoyl)hydrazinyl]-4-methyl-1-oxopentan-2-yl]benzamide
CID 52510980
2,4-dichloro-N-[1-[2-(2-chlorobenzoyl)hydrazinyl]-4-methyl-1-oxopentan-2-yl]benzamide
CID 52990853
5-chloro-N-[(2S)-1-oxo-1-(3-oxopiperazin-1-yl)-3-phenylpropan-2-yl]-1H-indole-2-carboxamide
CID 20679219
2,4-dichloro-N-[4-methyl-1-oxo-1-[3-(2-oxopyrrolidin-1-yl)propylamino]pentan-2-yl]benzamide
CID 43006168

Frequently Asked Questions

What is the IUPAC name of 2,4-dichloro-N-[4-methyl-1-oxo-1-(3-oxopiperazin-1-yl)pentan-2-yl]benzamide?
The IUPAC name of 2,4-dichloro-N-[4-methyl-1-oxo-1-(3-oxopiperazin-1-yl)pentan-2-yl]benzamide (CID 42910019) is 2,4-dichloro-N-[4-methyl-1-oxo-1-(3-oxopiperazin-1-yl)pentan-2-yl]benzamide.
What is the SMILES notation for 2,4-dichloro-N-[4-methyl-1-oxo-1-(3-oxopiperazin-1-yl)pentan-2-yl]benzamide?
The canonical SMILES for 2,4-dichloro-N-[4-methyl-1-oxo-1-(3-oxopiperazin-1-yl)pentan-2-yl]benzamide is CC(C)CC(NC(=O)c1ccc(Cl)cc1Cl)C(=O)N1CCNC(=O)C1.
What is the InChIKey of 2,4-dichloro-N-[4-methyl-1-oxo-1-(3-oxopiperazin-1-yl)pentan-2-yl]benzamide?
The InChIKey is KPQKEIFFACGGJE-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H21Cl2N3O3/c1-10(2)7-14(17(25)22-6-5-20-15(23)9-22)21-16(24)12-4-3-11(18)8-13(12)19/h3-4,8,10,14H,5-7,9H2,1-2H3,(H,20,23)(H,21,24).
What are the key properties of 2,4-dichloro-N-[4-methyl-1-oxo-1-(3-oxopiperazin-1-yl)pentan-2-yl]benzamide?
2,4-dichloro-N-[4-methyl-1-oxo-1-(3-oxopiperazin-1-yl)pentan-2-yl]benzamide has a molecular weight of 386.28 g/mol, XLogP of 2.10, 5 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2,4-dichloro-N-[4-methyl-1-oxo-1-(3-oxopiperazin-1-yl)pentan-2-yl]benzamide is sourced from PubChem (CID 42910019), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).