N-(3-chlorophenyl)-3-(4-methylpiperazin-1-yl)-3-oxopropanamide

C14H18ClN3O2 — CID 108944416

IUPACN-(3-chlorophenyl)-3-(4-methylpiperazin-1-yl)-3-oxopropanamide
SMILESCN1CCN(C(=O)CC(=O)Nc2cccc(Cl)c2)CC1
InChIInChI=1S/C14H18ClN3O2/c1-17-5-7-18(8-6-17)14(20)10-13(19)16-12-4-2-3-11(15)9-12/h2-4,9H,5-8,10H2,1H3,(H,16,19)
InChIKeyMWNFBLOYNGVYTF-UHFFFAOYSA-N
MW295.77 g/mol
LogP1.44
Rot. Bonds3

About N-(3-chlorophenyl)-3-(4-methylpiperazin-1-yl)-3-oxopropanamide

N-(3-chlorophenyl)-3-(4-methylpiperazin-1-yl)-3-oxopropanamide (PubChem CID 108944416) has the molecular formula C14H18ClN3O2 and a molecular weight of 295.77 g/mol. Its IUPAC name is N-(3-chlorophenyl)-3-(4-methylpiperazin-1-yl)-3-oxopropanamide.

Molecular Properties

Compound NameN-(3-chlorophenyl)-3-(4-methylpiperazin-1-yl)-3-oxopropanamide
PubChem CID108944416
Molecular FormulaC14H18ClN3O2
Molecular Weight295.77 g/mol
Exact Mass295.11
IUPAC NameN-(3-chlorophenyl)-3-(4-methylpiperazin-1-yl)-3-oxopropanamide
SMILESCN1CCN(C(=O)CC(=O)Nc2cccc(Cl)c2)CC1
InChIInChI=1S/C14H18ClN3O2/c1-17-5-7-18(8-6-17)14(20)10-13(19)16-12-4-2-3-11(15)9-12/h2-4,9H,5-8,10H2,1H3,(H,16,19)
InChIKeyMWNFBLOYNGVYTF-UHFFFAOYSA-N
XLogP1.44
TPSA52.65 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500295.77
LogP ≤ 51.44
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'beta-keto/anhydride', 'substructure': 'N/A'}

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Related Compounds

3-(azepan-1-yl)-N-(3-chlorophenyl)-3-oxopropanamide
CID 108952689
N-(3-chlorophenyl)-3-morpholin-4-yl-3-oxopropanamide
CID 108943524
2-(3-chloroanilino)-1-(4-methylpiperazin-1-yl)ethanone
CID 28580633
methyl 3-[4-[(3-chlorophenyl)carbamoyl]piperazin-1-yl]-3-oxopropanoate
CID 154873717
N-(3-chlorophenyl)-3-(6,7-dimethoxy-3,4-dihydro-1H-isoquinolin-2-yl)-3-oxopropanamide
CID 108951413
N-(3-chlorophenyl)-2-[(2-oxo-2-pyrrolidin-1-ylethyl)amino]acetamide
CID 115745385
N-(3-chloro-2-methylphenyl)-3-(4-methylpiperazin-1-yl)-3-oxopropanamide
CID 108944418
N-(3-chlorophenyl)-2-[(1,4-dimethylpiperidin-4-yl)methylamino]acetamide
CID 107163743
1-(aziridin-1-yl)-2-(3-chloroanilino)ethanone
CID 131042783
N-[4-chloro-2-(trifluoromethyl)phenyl]-3-(4-methylpiperazin-1-yl)-3-oxopropanamide
CID 108944475
N-(3-chlorophenyl)-2-[methyl-(3-oxo-3-piperazin-1-ylpropyl)amino]acetamide
CID 120981027
[2-(3-chloroanilino)-2-oxoethyl] 4-(4-acetylpiperazin-1-yl)-4-oxobutanoate
CID 9062894

Frequently Asked Questions

What is the IUPAC name of N-(3-chlorophenyl)-3-(4-methylpiperazin-1-yl)-3-oxopropanamide?
The IUPAC name of N-(3-chlorophenyl)-3-(4-methylpiperazin-1-yl)-3-oxopropanamide (CID 108944416) is N-(3-chlorophenyl)-3-(4-methylpiperazin-1-yl)-3-oxopropanamide.
What is the SMILES notation for N-(3-chlorophenyl)-3-(4-methylpiperazin-1-yl)-3-oxopropanamide?
The canonical SMILES for N-(3-chlorophenyl)-3-(4-methylpiperazin-1-yl)-3-oxopropanamide is CN1CCN(C(=O)CC(=O)Nc2cccc(Cl)c2)CC1.
What is the InChIKey of N-(3-chlorophenyl)-3-(4-methylpiperazin-1-yl)-3-oxopropanamide?
The InChIKey is MWNFBLOYNGVYTF-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H18ClN3O2/c1-17-5-7-18(8-6-17)14(20)10-13(19)16-12-4-2-3-11(15)9-12/h2-4,9H,5-8,10H2,1H3,(H,16,19).
What are the key properties of N-(3-chlorophenyl)-3-(4-methylpiperazin-1-yl)-3-oxopropanamide?
N-(3-chlorophenyl)-3-(4-methylpiperazin-1-yl)-3-oxopropanamide has a molecular weight of 295.77 g/mol, XLogP of 1.44, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-(3-chlorophenyl)-3-(4-methylpiperazin-1-yl)-3-oxopropanamide is sourced from PubChem (CID 108944416), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).