N-[2-(dimethylamino)ethyl]-3-oxo-3-(4-phenylpiperazin-1-yl)propanamide

C17H26N4O2 — CID 108943819

IUPACN-[2-(dimethylamino)ethyl]-3-oxo-3-(4-phenylpiperazin-1-yl)propanamide
SMILESCN(C)CCNC(=O)CC(=O)N1CCN(c2ccccc2)CC1
InChIInChI=1S/C17H26N4O2/c1-19(2)9-8-18-16(22)14-17(23)21-12-10-20(11-13-21)15-6-4-3-5-7-15/h3-7H,8-14H2,1-2H3,(H,18,22)
InChIKeyCVUAFGYKDRWLQL-UHFFFAOYSA-N
MW318.42 g/mol
LogP0.40
Rot. Bonds6

About N-[2-(dimethylamino)ethyl]-3-oxo-3-(4-phenylpiperazin-1-yl)propanamide

N-[2-(dimethylamino)ethyl]-3-oxo-3-(4-phenylpiperazin-1-yl)propanamide (PubChem CID 108943819) has the molecular formula C17H26N4O2 and a molecular weight of 318.42 g/mol. Its IUPAC name is N-[2-(dimethylamino)ethyl]-3-oxo-3-(4-phenylpiperazin-1-yl)propanamide.

Molecular Properties

Compound NameN-[2-(dimethylamino)ethyl]-3-oxo-3-(4-phenylpiperazin-1-yl)propanamide
PubChem CID108943819
Molecular FormulaC17H26N4O2
Molecular Weight318.42 g/mol
Exact Mass318.21
IUPAC NameN-[2-(dimethylamino)ethyl]-3-oxo-3-(4-phenylpiperazin-1-yl)propanamide
SMILESCN(C)CCNC(=O)CC(=O)N1CCN(c2ccccc2)CC1
InChIInChI=1S/C17H26N4O2/c1-19(2)9-8-18-16(22)14-17(23)21-12-10-20(11-13-21)15-6-4-3-5-7-15/h3-7H,8-14H2,1-2H3,(H,18,22)
InChIKeyCVUAFGYKDRWLQL-UHFFFAOYSA-N
XLogP0.40
TPSA55.89 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500318.42
LogP ≤ 50.40
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Related Compounds

N-[2-(dimethylamino)ethyl]-3-oxo-3-(4-pyrimidin-2-ylpiperazin-1-yl)propanamide
CID 108943839
N-[3-(dimethylamino)propyl]-3-[4-(4-methoxyphenyl)piperazin-1-yl]-3-oxopropanamide
CID 108944211
N-methyl-3-oxo-N-phenyl-3-(4-phenylpiperazin-1-yl)propanamide
CID 108949403
1,1-dimethyl-3-[2-oxo-2-(4-phenylpiperazin-1-yl)ethyl]urea
CID 110371190
N-[3-oxo-3-(4-phenylpiperazin-1-yl)propyl]pentanamide
CID 60608501
3-[4-(4-fluorophenyl)piperazin-1-yl]-3-oxo-N-(2-phenylethyl)propanamide
CID 108947922
3-[4-(4-methoxyphenyl)piperazin-1-yl]-3-oxo-N-(2-phenylethyl)propanamide
CID 108947958
4-(4-aminophenyl)-N-[2-(dimethylamino)ethyl]piperazine-1-carboxamide
CID 14763494
N-(3,4-dimethylphenyl)-3-oxo-3-(4-phenylpiperazin-1-yl)propanamide
CID 108949408
4-(3-acetamidophenyl)-N-[2-(dimethylamino)ethyl]piperazine-1-carboxamide
CID 113105854
N-[2-(dimethylamino)ethyl]-4-(4-phenylmethoxyphenyl)piperazine-1-carboxamide
CID 113105867
1-(dimethylsulfamoyl)-N-[2-oxo-2-(4-phenylpiperazin-1-yl)ethyl]formamide
CID 113097467

Frequently Asked Questions

What is the IUPAC name of N-[2-(dimethylamino)ethyl]-3-oxo-3-(4-phenylpiperazin-1-yl)propanamide?
The IUPAC name of N-[2-(dimethylamino)ethyl]-3-oxo-3-(4-phenylpiperazin-1-yl)propanamide (CID 108943819) is N-[2-(dimethylamino)ethyl]-3-oxo-3-(4-phenylpiperazin-1-yl)propanamide.
What is the SMILES notation for N-[2-(dimethylamino)ethyl]-3-oxo-3-(4-phenylpiperazin-1-yl)propanamide?
The canonical SMILES for N-[2-(dimethylamino)ethyl]-3-oxo-3-(4-phenylpiperazin-1-yl)propanamide is CN(C)CCNC(=O)CC(=O)N1CCN(c2ccccc2)CC1.
What is the InChIKey of N-[2-(dimethylamino)ethyl]-3-oxo-3-(4-phenylpiperazin-1-yl)propanamide?
The InChIKey is CVUAFGYKDRWLQL-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H26N4O2/c1-19(2)9-8-18-16(22)14-17(23)21-12-10-20(11-13-21)15-6-4-3-5-7-15/h3-7H,8-14H2,1-2H3,(H,18,22).
What are the key properties of N-[2-(dimethylamino)ethyl]-3-oxo-3-(4-phenylpiperazin-1-yl)propanamide?
N-[2-(dimethylamino)ethyl]-3-oxo-3-(4-phenylpiperazin-1-yl)propanamide has a molecular weight of 318.42 g/mol, XLogP of 0.40, 6 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-(dimethylamino)ethyl]-3-oxo-3-(4-phenylpiperazin-1-yl)propanamide is sourced from PubChem (CID 108943819), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).