N-methyl-3-oxo-N-phenyl-3-(4-phenylpiperazin-1-yl)propanamide

C20H23N3O2 — CID 108949403

IUPACN-methyl-3-oxo-N-phenyl-3-(4-phenylpiperazin-1-yl)propanamide
SMILESCN(C(=O)CC(=O)N1CCN(c2ccccc2)CC1)c1ccccc1
InChIInChI=1S/C20H23N3O2/c1-21(17-8-4-2-5-9-17)19(24)16-20(25)23-14-12-22(13-15-23)18-10-6-3-7-11-18/h2-11H,12-16H2,1H3
InChIKeyGHPGTWZACLSGMR-UHFFFAOYSA-N
MW337.42 g/mol
LogP2.39
Rot. Bonds4

About N-methyl-3-oxo-N-phenyl-3-(4-phenylpiperazin-1-yl)propanamide

N-methyl-3-oxo-N-phenyl-3-(4-phenylpiperazin-1-yl)propanamide (PubChem CID 108949403) has the molecular formula C20H23N3O2 and a molecular weight of 337.42 g/mol. Its IUPAC name is N-methyl-3-oxo-N-phenyl-3-(4-phenylpiperazin-1-yl)propanamide.

Molecular Properties

Compound NameN-methyl-3-oxo-N-phenyl-3-(4-phenylpiperazin-1-yl)propanamide
PubChem CID108949403
Molecular FormulaC20H23N3O2
Molecular Weight337.42 g/mol
Exact Mass337.18
IUPAC NameN-methyl-3-oxo-N-phenyl-3-(4-phenylpiperazin-1-yl)propanamide
SMILESCN(C(=O)CC(=O)N1CCN(c2ccccc2)CC1)c1ccccc1
InChIInChI=1S/C20H23N3O2/c1-21(17-8-4-2-5-9-17)19(24)16-20(25)23-14-12-22(13-15-23)18-10-6-3-7-11-18/h2-11H,12-16H2,1H3
InChIKeyGHPGTWZACLSGMR-UHFFFAOYSA-N
XLogP2.39
TPSA43.86 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500337.42
LogP ≤ 52.39
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

N-methyl-N,4-diphenylpiperazine-1-carboxamide
CID 890140
1,1-dimethyl-3-[2-oxo-2-(4-phenylpiperazin-1-yl)ethyl]urea
CID 110371190
N-[2-(dimethylamino)ethyl]-3-oxo-3-(4-phenylpiperazin-1-yl)propanamide
CID 108943819
1-(4-phenylpiperazin-1-yl)pentane-1,4-dione
CID 60636215
N'-methyl-N'-phenyl-N-(4-piperidin-1-ylphenyl)propanediamide
CID 108953212
1,6-bis(4-phenylpiperazin-1-yl)hexane-1,6-dione
CID 2933488
N-ethyl-2-oxo-N-phenyl-2-(4-phenylpiperazin-1-yl)acetamide
CID 108518692
1-(dimethylsulfamoyl)-N-[2-oxo-2-(4-phenylpiperazin-1-yl)ethyl]formamide
CID 113097467
N-ethyl-N,4-diphenylpiperazine-1-carboxamide
CID 108989539
2-[4-(3-chlorophenyl)piperazin-1-yl]-N-methyl-N-phenylacetamide
CID 4818731
1-(4-phenyl-1,4-diazepan-1-yl)propan-1-one
CID 110873765
3-(ethylamino)-1-(4-phenylpiperazin-1-yl)propan-1-one
CID 62831183

Frequently Asked Questions

What is the IUPAC name of N-methyl-3-oxo-N-phenyl-3-(4-phenylpiperazin-1-yl)propanamide?
The IUPAC name of N-methyl-3-oxo-N-phenyl-3-(4-phenylpiperazin-1-yl)propanamide (CID 108949403) is N-methyl-3-oxo-N-phenyl-3-(4-phenylpiperazin-1-yl)propanamide.
What is the SMILES notation for N-methyl-3-oxo-N-phenyl-3-(4-phenylpiperazin-1-yl)propanamide?
The canonical SMILES for N-methyl-3-oxo-N-phenyl-3-(4-phenylpiperazin-1-yl)propanamide is CN(C(=O)CC(=O)N1CCN(c2ccccc2)CC1)c1ccccc1.
What is the InChIKey of N-methyl-3-oxo-N-phenyl-3-(4-phenylpiperazin-1-yl)propanamide?
The InChIKey is GHPGTWZACLSGMR-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H23N3O2/c1-21(17-8-4-2-5-9-17)19(24)16-20(25)23-14-12-22(13-15-23)18-10-6-3-7-11-18/h2-11H,12-16H2,1H3.
What are the key properties of N-methyl-3-oxo-N-phenyl-3-(4-phenylpiperazin-1-yl)propanamide?
N-methyl-3-oxo-N-phenyl-3-(4-phenylpiperazin-1-yl)propanamide has a molecular weight of 337.42 g/mol, XLogP of 2.39, 4 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-methyl-3-oxo-N-phenyl-3-(4-phenylpiperazin-1-yl)propanamide is sourced from PubChem (CID 108949403), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).