N-(2-amino-4,6-dichlorophenyl)-2-(3-oxopiperazin-1-yl)propanamide

C13H16Cl2N4O2 — CID 43078334

IUPACN-(2-amino-4,6-dichlorophenyl)-2-(3-oxopiperazin-1-yl)propanamide
SMILESCC(C(=O)Nc1c(N)cc(Cl)cc1Cl)N1CCNC(=O)C1
InChIInChI=1S/C13H16Cl2N4O2/c1-7(19-3-2-17-11(20)6-19)13(21)18-12-9(15)4-8(14)5-10(12)16/h4-5,7H,2-3,6,16H2,1H3,(H,17,20)(H,18,21)
InChIKeyPSBZIZQUTZDSGP-UHFFFAOYSA-N
MW331.20 g/mol
LogP1.33
Rot. Bonds3

About N-(2-amino-4,6-dichlorophenyl)-2-(3-oxopiperazin-1-yl)propanamide

N-(2-amino-4,6-dichlorophenyl)-2-(3-oxopiperazin-1-yl)propanamide (PubChem CID 43078334) has the molecular formula C13H16Cl2N4O2 and a molecular weight of 331.20 g/mol. Its IUPAC name is N-(2-amino-4,6-dichlorophenyl)-2-(3-oxopiperazin-1-yl)propanamide.

Molecular Properties

Compound NameN-(2-amino-4,6-dichlorophenyl)-2-(3-oxopiperazin-1-yl)propanamide
PubChem CID43078334
Molecular FormulaC13H16Cl2N4O2
Molecular Weight331.20 g/mol
Exact Mass330.07
IUPAC NameN-(2-amino-4,6-dichlorophenyl)-2-(3-oxopiperazin-1-yl)propanamide
SMILESCC(C(=O)Nc1c(N)cc(Cl)cc1Cl)N1CCNC(=O)C1
InChIInChI=1S/C13H16Cl2N4O2/c1-7(19-3-2-17-11(20)6-19)13(21)18-12-9(15)4-8(14)5-10(12)16/h4-5,7H,2-3,6,16H2,1H3,(H,17,20)(H,18,21)
InChIKeyPSBZIZQUTZDSGP-UHFFFAOYSA-N
XLogP1.33
TPSA87.46 Ų
H-Bond Donors3
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500331.20
LogP ≤ 51.33
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'aniline', 'substructure': 'N/A'}

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Related Compounds

(2S)-N-(3,5-dichlorophenyl)-2-(3-oxopiperazin-1-yl)propanamide
CID 8516323
N-(2-amino-4,6-dichlorophenyl)-2-(4-methylpiperazin-1-yl)propanamide
CID 43080376
N-(2-amino-4,6-dichlorophenyl)-2-(3-oxopiperazin-1-yl)acetamide
CID 29276726
(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-(4-amino-2,6-dichlorophenyl)-2-pyrrolidin-1-ylpropanamide
CID 43080000
(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
N-(4-amino-2,6-dichlorophenyl)-2-(4-methylpiperazin-1-yl)propanamide
CID 43079943
N-(2-amino-4,6-dichlorophenyl)-2-[butan-2-yl(ethyl)amino]propanamide
CID 43274116
N-(2-amino-4,6-dichlorophenyl)-2-[cyclopropyl(ethyl)amino]propanamide
CID 43263787
N-(2-amino-4,6-dichlorophenyl)-2-(2-methylpropylsulfanyl)propanamide
CID 43125827

Frequently Asked Questions

What is the IUPAC name of N-(2-amino-4,6-dichlorophenyl)-2-(3-oxopiperazin-1-yl)propanamide?
The IUPAC name of N-(2-amino-4,6-dichlorophenyl)-2-(3-oxopiperazin-1-yl)propanamide (CID 43078334) is N-(2-amino-4,6-dichlorophenyl)-2-(3-oxopiperazin-1-yl)propanamide.
What is the SMILES notation for N-(2-amino-4,6-dichlorophenyl)-2-(3-oxopiperazin-1-yl)propanamide?
The canonical SMILES for N-(2-amino-4,6-dichlorophenyl)-2-(3-oxopiperazin-1-yl)propanamide is CC(C(=O)Nc1c(N)cc(Cl)cc1Cl)N1CCNC(=O)C1.
What is the InChIKey of N-(2-amino-4,6-dichlorophenyl)-2-(3-oxopiperazin-1-yl)propanamide?
The InChIKey is PSBZIZQUTZDSGP-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H16Cl2N4O2/c1-7(19-3-2-17-11(20)6-19)13(21)18-12-9(15)4-8(14)5-10(12)16/h4-5,7H,2-3,6,16H2,1H3,(H,17,20)(H,18,21).
What are the key properties of N-(2-amino-4,6-dichlorophenyl)-2-(3-oxopiperazin-1-yl)propanamide?
N-(2-amino-4,6-dichlorophenyl)-2-(3-oxopiperazin-1-yl)propanamide has a molecular weight of 331.20 g/mol, XLogP of 1.33, 3 rotatable bonds, 3 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-(2-amino-4,6-dichlorophenyl)-2-(3-oxopiperazin-1-yl)propanamide is sourced from PubChem (CID 43078334), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).