1-[2-[4-(2,3-dimethylphenyl)piperazin-1-yl]-2-oxoacetyl]piperidine-4-carboxamide

C20H28N4O3 — CID 108532094

IUPAC1-[2-[4-(2,3-dimethylphenyl)piperazin-1-yl]-2-oxoacetyl]piperidine-4-carboxamide
SMILESCc1cccc(N2CCN(C(=O)C(=O)N3CCC(C(N)=O)CC3)CC2)c1C
InChIInChI=1S/C20H28N4O3/c1-14-4-3-5-17(15(14)2)22-10-12-24(13-11-22)20(27)19(26)23-8-6-16(7-9-23)18(21)25/h3-5,16H,6-13H2,1-2H3,(H2,21,25)
InChIKeyNPHOUFUKIWVUGH-UHFFFAOYSA-N
MW372.47 g/mol
LogP0.68
Rot. Bonds2

About 1-[2-[4-(2,3-dimethylphenyl)piperazin-1-yl]-2-oxoacetyl]piperidine-4-carboxamide

1-[2-[4-(2,3-dimethylphenyl)piperazin-1-yl]-2-oxoacetyl]piperidine-4-carboxamide (PubChem CID 108532094) has the molecular formula C20H28N4O3 and a molecular weight of 372.47 g/mol. Its IUPAC name is 1-[2-[4-(2,3-dimethylphenyl)piperazin-1-yl]-2-oxoacetyl]piperidine-4-carboxamide.

Molecular Properties

Compound Name1-[2-[4-(2,3-dimethylphenyl)piperazin-1-yl]-2-oxoacetyl]piperidine-4-carboxamide
PubChem CID108532094
Molecular FormulaC20H28N4O3
Molecular Weight372.47 g/mol
Exact Mass372.22
IUPAC Name1-[2-[4-(2,3-dimethylphenyl)piperazin-1-yl]-2-oxoacetyl]piperidine-4-carboxamide
SMILESCc1cccc(N2CCN(C(=O)C(=O)N3CCC(C(N)=O)CC3)CC2)c1C
InChIInChI=1S/C20H28N4O3/c1-14-4-3-5-17(15(14)2)22-10-12-24(13-11-22)20(27)19(26)23-8-6-16(7-9-23)18(21)25/h3-5,16H,6-13H2,1-2H3,(H2,21,25)
InChIKeyNPHOUFUKIWVUGH-UHFFFAOYSA-N
XLogP0.68
TPSA86.95 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500372.47
LogP ≤ 50.68
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

Analyze 1-[2-[4-(2,3-dimethylphenyl)piperazin-1-yl]-2-oxoacetyl]piperidine-4-carboxamide with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

1-[4-(2,3-dimethylphenyl)piperazin-1-yl]-2-(4-pyrimidin-2-ylpiperazin-1-yl)ethane-1,2-dione
CID 108531669
1-[4-(2,3-dimethylphenyl)piperazin-1-yl]-2-[4-(2-methoxyphenyl)piperazin-1-yl]ethane-1,2-dione
CID 108530720
[2-[4-(2,3-dimethylphenyl)piperazine-1-carbonyl]cyclopropyl]-pyrrolidin-1-ylmethanone
CID 109131851
2-[4-(2,3-dimethylphenyl)piperazin-1-yl]-N-methyl-N-(1-methylpiperidin-4-yl)-2-oxoacetamide
CID 108507340
2-amino-1-[4-(2,3-dimethylphenyl)piperazin-1-yl]ethanone;dihydrochloride
CID 119828409
1-[4-(2,3-dimethylphenyl)piperazin-1-yl]-2-methylpropan-1-one
CID 897293
1-[(Z)-2-cyano-3-[4-(2,3-dimethylphenyl)piperazin-1-yl]prop-2-enoyl]piperidine-4-carboxylic acid;hydrochloride
CID 108832351
1-(azepan-1-yl)-3-[4-(2,3-dimethylphenyl)piperazin-1-yl]-2,2-dimethylpropane-1,3-dione
CID 108965457
2-[4-(2,3-dimethylphenyl)piperazin-1-yl]-N-methyl-2-oxo-N-phenylacetamide
CID 108521011
trans-(1S,2S)-2-[4-(2,3-dimethylphenyl)piperazine-1-carbonyl]cyclohexane-1-carboxylic acid
CID 753081
N-[2-[4-(2,3-dimethylphenyl)piperazin-1-yl]-2-oxoethyl]cyclopropanecarboxamide
CID 110687151
1-[4-[4-(2,3-dimethylphenyl)piperazine-1-carbonyl]piperidin-1-yl]-3-phenylprop-2-en-1-one
CID 84940723

Frequently Asked Questions

What is the IUPAC name of 1-[2-[4-(2,3-dimethylphenyl)piperazin-1-yl]-2-oxoacetyl]piperidine-4-carboxamide?
The IUPAC name of 1-[2-[4-(2,3-dimethylphenyl)piperazin-1-yl]-2-oxoacetyl]piperidine-4-carboxamide (CID 108532094) is 1-[2-[4-(2,3-dimethylphenyl)piperazin-1-yl]-2-oxoacetyl]piperidine-4-carboxamide.
What is the SMILES notation for 1-[2-[4-(2,3-dimethylphenyl)piperazin-1-yl]-2-oxoacetyl]piperidine-4-carboxamide?
The canonical SMILES for 1-[2-[4-(2,3-dimethylphenyl)piperazin-1-yl]-2-oxoacetyl]piperidine-4-carboxamide is Cc1cccc(N2CCN(C(=O)C(=O)N3CCC(C(N)=O)CC3)CC2)c1C.
What is the InChIKey of 1-[2-[4-(2,3-dimethylphenyl)piperazin-1-yl]-2-oxoacetyl]piperidine-4-carboxamide?
The InChIKey is NPHOUFUKIWVUGH-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H28N4O3/c1-14-4-3-5-17(15(14)2)22-10-12-24(13-11-22)20(27)19(26)23-8-6-16(7-9-23)18(21)25/h3-5,16H,6-13H2,1-2H3,(H2,21,25).
What are the key properties of 1-[2-[4-(2,3-dimethylphenyl)piperazin-1-yl]-2-oxoacetyl]piperidine-4-carboxamide?
1-[2-[4-(2,3-dimethylphenyl)piperazin-1-yl]-2-oxoacetyl]piperidine-4-carboxamide has a molecular weight of 372.47 g/mol, XLogP of 0.68, 2 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[2-[4-(2,3-dimethylphenyl)piperazin-1-yl]-2-oxoacetyl]piperidine-4-carboxamide is sourced from PubChem (CID 108532094), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).