(2S)-N-(3,5-dichlorophenyl)-2-(3-oxopiperazin-1-yl)propanamide

C13H15Cl2N3O2 — CID 8516323

IUPAC(2S)-N-(3,5-dichlorophenyl)-2-(3-oxopiperazin-1-yl)propanamide
SMILESC[C@@H](C(=O)Nc1cc(Cl)cc(Cl)c1)N1CCNC(=O)C1
InChIInChI=1S/C13H15Cl2N3O2/c1-8(18-3-2-16-12(19)7-18)13(20)17-11-5-9(14)4-10(15)6-11/h4-6,8H,2-3,7H2,1H3,(H,16,19)(H,17,20)/t8-/m0/s1
InChIKeyOTLRWRMZOJFQBH-QMMMGPOBSA-N
MW316.19 g/mol
LogP1.75
Rot. Bonds3

About (2S)-N-(3,5-dichlorophenyl)-2-(3-oxopiperazin-1-yl)propanamide

(2S)-N-(3,5-dichlorophenyl)-2-(3-oxopiperazin-1-yl)propanamide (PubChem CID 8516323) has the molecular formula C13H15Cl2N3O2 and a molecular weight of 316.19 g/mol. Its IUPAC name is (2S)-N-(3,5-dichlorophenyl)-2-(3-oxopiperazin-1-yl)propanamide.

Molecular Properties

Compound Name(2S)-N-(3,5-dichlorophenyl)-2-(3-oxopiperazin-1-yl)propanamide
PubChem CID8516323
Molecular FormulaC13H15Cl2N3O2
Molecular Weight316.19 g/mol
Exact Mass315.05
IUPAC Name(2S)-N-(3,5-dichlorophenyl)-2-(3-oxopiperazin-1-yl)propanamide
SMILESC[C@@H](C(=O)Nc1cc(Cl)cc(Cl)c1)N1CCNC(=O)C1
InChIInChI=1S/C13H15Cl2N3O2/c1-8(18-3-2-16-12(19)7-18)13(20)17-11-5-9(14)4-10(15)6-11/h4-6,8H,2-3,7H2,1H3,(H,16,19)(H,17,20)/t8-/m0/s1
InChIKeyOTLRWRMZOJFQBH-QMMMGPOBSA-N
XLogP1.75
TPSA61.44 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500316.19
LogP ≤ 51.75
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

N-(2-amino-4,6-dichlorophenyl)-2-(3-oxopiperazin-1-yl)propanamide
CID 43078334
(2R)-N-(4-cyanophenyl)-2-(3-oxopiperazin-1-yl)propanamide
CID 2657138
(2R)-2-(3-oxopiperazin-1-yl)-N-[4-(trifluoromethyl)phenyl]propanamide
CID 8516481
N-(3,5-dichlorophenyl)-2-(3-oxopiperazin-1-yl)acetamide
CID 2113839
(2S)-N-(3,5-dichlorophenyl)-2-[4-[2-(methylamino)-2-oxoethyl]piperazin-1-yl]propanamide
CID 8774492
(2R)-N-(3,5-dichlorophenyl)-2-[4-[2-(methylamino)-2-oxoethyl]piperazin-1-yl]propanamide
CID 8774494
(2S)-2-(3-oxopiperazin-1-yl)-N-[2-(trifluoromethyl)phenyl]propanamide
CID 26304739
(2R)-N-(2-cyanophenyl)-2-(3-oxopiperazin-1-yl)propanamide
CID 8516450
(2R)-2-[4-(4-acetylphenyl)piperazin-1-yl]-N-(3,5-dichlorophenyl)propanamide
CID 2570336
(2S)-N-(3,5-dichlorophenyl)-2-[4-(4-hydroxyphenyl)piperazin-1-yl]propanamide
CID 2096596
(2R)-2-[4-[2-(cyclopropylamino)-2-oxoethyl]piperazin-1-yl]-N-(3,5-dichlorophenyl)propanamide
CID 30740405
N-[4-(6-methyl-1,3-benzothiazol-2-yl)phenyl]-2-(3-oxopiperazin-1-yl)propanamide
CID 17423025

Frequently Asked Questions

What is the IUPAC name of (2S)-N-(3,5-dichlorophenyl)-2-(3-oxopiperazin-1-yl)propanamide?
The IUPAC name of (2S)-N-(3,5-dichlorophenyl)-2-(3-oxopiperazin-1-yl)propanamide (CID 8516323) is (2S)-N-(3,5-dichlorophenyl)-2-(3-oxopiperazin-1-yl)propanamide.
What is the SMILES notation for (2S)-N-(3,5-dichlorophenyl)-2-(3-oxopiperazin-1-yl)propanamide?
The canonical SMILES for (2S)-N-(3,5-dichlorophenyl)-2-(3-oxopiperazin-1-yl)propanamide is C[C@@H](C(=O)Nc1cc(Cl)cc(Cl)c1)N1CCNC(=O)C1.
What is the InChIKey of (2S)-N-(3,5-dichlorophenyl)-2-(3-oxopiperazin-1-yl)propanamide?
The InChIKey is OTLRWRMZOJFQBH-QMMMGPOBSA-N. The full InChI is InChI=1S/C13H15Cl2N3O2/c1-8(18-3-2-16-12(19)7-18)13(20)17-11-5-9(14)4-10(15)6-11/h4-6,8H,2-3,7H2,1H3,(H,16,19)(H,17,20)/t8-/m0/s1.
What are the key properties of (2S)-N-(3,5-dichlorophenyl)-2-(3-oxopiperazin-1-yl)propanamide?
(2S)-N-(3,5-dichlorophenyl)-2-(3-oxopiperazin-1-yl)propanamide has a molecular weight of 316.19 g/mol, XLogP of 1.75, 3 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (2S)-N-(3,5-dichlorophenyl)-2-(3-oxopiperazin-1-yl)propanamide is sourced from PubChem (CID 8516323), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).