N-(3,5-dichlorophenyl)-2-(3-oxopiperazin-1-ium-1-yl)acetamide

C12H14Cl2N3O2+ — CID 2113838

IUPACN-(3,5-dichlorophenyl)-2-(3-oxopiperazin-1-ium-1-yl)acetamide
SMILESO=C1C[NH+](CC(=O)Nc2cc(Cl)cc(Cl)c2)CCN1
InChIInChI=1S/C12H13Cl2N3O2/c13-8-3-9(14)5-10(4-8)16-12(19)7-17-2-1-15-11(18)6-17/h3-5H,1-2,6-7H2,(H,15,18)(H,16,19)/p+1
InChIKeyKFWQFBMRDFWLEM-UHFFFAOYSA-O
MW303.17 g/mol
LogP-0.05
Rot. Bonds3

About N-(3,5-dichlorophenyl)-2-(3-oxopiperazin-1-ium-1-yl)acetamide

N-(3,5-dichlorophenyl)-2-(3-oxopiperazin-1-ium-1-yl)acetamide (PubChem CID 2113838) has the molecular formula C12H14Cl2N3O2+ and a molecular weight of 303.17 g/mol. Its IUPAC name is N-(3,5-dichlorophenyl)-2-(3-oxopiperazin-1-ium-1-yl)acetamide.

Molecular Properties

Compound NameN-(3,5-dichlorophenyl)-2-(3-oxopiperazin-1-ium-1-yl)acetamide
PubChem CID2113838
Molecular FormulaC12H14Cl2N3O2+
Molecular Weight303.17 g/mol
Exact Mass302.05
IUPAC NameN-(3,5-dichlorophenyl)-2-(3-oxopiperazin-1-ium-1-yl)acetamide
SMILESO=C1C[NH+](CC(=O)Nc2cc(Cl)cc(Cl)c2)CCN1
InChIInChI=1S/C12H13Cl2N3O2/c13-8-3-9(14)5-10(4-8)16-12(19)7-17-2-1-15-11(18)6-17/h3-5H,1-2,6-7H2,(H,15,18)(H,16,19)/p+1
InChIKeyKFWQFBMRDFWLEM-UHFFFAOYSA-O
XLogP-0.05
TPSA62.64 Ų
H-Bond Donors3
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500303.17
LogP ≤ 5-0.05
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 102

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Related Compounds

N-(4-chloro-2-methylphenyl)-2-(3-oxopiperazin-1-ium-1-yl)acetamide
CID 8963304
N-[4-(4-methylphenoxy)phenyl]-2-(3-oxopiperazin-1-ium-1-yl)acetamide
CID 8962494
N-(2-iodophenyl)-2-(3-oxopiperazin-1-ium-1-yl)acetamide
CID 2657029
N-(3,5-dichlorophenyl)-2-(3-oxopiperazin-1-yl)acetamide
CID 2113839
N-(3-methylphenyl)-2-[[2-(3-oxopiperazin-1-ium-1-yl)acetyl]amino]benzamide
CID 8549550
(2S)-N-(3,5-dichlorophenyl)-2-(3-oxopiperazin-1-ium-1-yl)-2-phenylacetamide
CID 2450954
N-(3,5-dichlorophenyl)-2-[4-(4-fluorophenyl)piperazin-1-ium-1-yl]acetamide
CID 6958471
2-(3-oxopiperazin-1-ium-1-yl)-N-[(3,4,5-trimethoxyphenyl)methyl]acetamide
CID 8549361
2-[4-[2-(4-chloroanilino)-2-oxoethyl]piperazine-1,4-diium-1-yl]acetamide
CID 5062155
ethyl 2-[[2-(3-oxopiperazin-1-ium-1-yl)acetyl]amino]-5-propan-2-ylthiophene-3-carboxylate
CID 8962122
methyl 2-[[2-(3-oxopiperazin-1-ium-1-yl)acetyl]amino]-5,6,7,8-tetrahydro-4H-cyclohepta[b]thiophene-3-carboxylate
CID 8963399
N-[2-[4-(difluoromethoxy)-3-methoxyphenyl]ethyl]-2-(3-oxopiperazin-1-ium-1-yl)acetamide
CID 8549332

Frequently Asked Questions

What is the IUPAC name of N-(3,5-dichlorophenyl)-2-(3-oxopiperazin-1-ium-1-yl)acetamide?
The IUPAC name of N-(3,5-dichlorophenyl)-2-(3-oxopiperazin-1-ium-1-yl)acetamide (CID 2113838) is N-(3,5-dichlorophenyl)-2-(3-oxopiperazin-1-ium-1-yl)acetamide.
What is the SMILES notation for N-(3,5-dichlorophenyl)-2-(3-oxopiperazin-1-ium-1-yl)acetamide?
The canonical SMILES for N-(3,5-dichlorophenyl)-2-(3-oxopiperazin-1-ium-1-yl)acetamide is O=C1C[NH+](CC(=O)Nc2cc(Cl)cc(Cl)c2)CCN1.
What is the InChIKey of N-(3,5-dichlorophenyl)-2-(3-oxopiperazin-1-ium-1-yl)acetamide?
The InChIKey is KFWQFBMRDFWLEM-UHFFFAOYSA-O. The full InChI is InChI=1S/C12H13Cl2N3O2/c13-8-3-9(14)5-10(4-8)16-12(19)7-17-2-1-15-11(18)6-17/h3-5H,1-2,6-7H2,(H,15,18)(H,16,19)/p+1.
What are the key properties of N-(3,5-dichlorophenyl)-2-(3-oxopiperazin-1-ium-1-yl)acetamide?
N-(3,5-dichlorophenyl)-2-(3-oxopiperazin-1-ium-1-yl)acetamide has a molecular weight of 303.17 g/mol, XLogP of -0.05, 3 rotatable bonds, 3 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-(3,5-dichlorophenyl)-2-(3-oxopiperazin-1-ium-1-yl)acetamide is sourced from PubChem (CID 2113838), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).