4-(3-acetamidophenyl)-N-butan-2-ylpiperazine-1-carboxamide

C17H26N4O2 — CID 113104364

IUPAC4-(3-acetamidophenyl)-N-butan-2-ylpiperazine-1-carboxamide
SMILESCCC(C)NC(=O)N1CCN(c2cccc(NC(C)=O)c2)CC1
InChIInChI=1S/C17H26N4O2/c1-4-13(2)18-17(23)21-10-8-20(9-11-21)16-7-5-6-15(12-16)19-14(3)22/h5-7,12-13H,4,8-11H2,1-3H3,(H,18,23)(H,19,22)
InChIKeyXCVWEAKWSMCRSK-UHFFFAOYSA-N
MW318.42 g/mol
LogP2.28
Rot. Bonds4

About 4-(3-acetamidophenyl)-N-butan-2-ylpiperazine-1-carboxamide

4-(3-acetamidophenyl)-N-butan-2-ylpiperazine-1-carboxamide (PubChem CID 113104364) has the molecular formula C17H26N4O2 and a molecular weight of 318.42 g/mol. Its IUPAC name is 4-(3-acetamidophenyl)-N-butan-2-ylpiperazine-1-carboxamide.

Molecular Properties

Compound Name4-(3-acetamidophenyl)-N-butan-2-ylpiperazine-1-carboxamide
PubChem CID113104364
Molecular FormulaC17H26N4O2
Molecular Weight318.42 g/mol
Exact Mass318.21
IUPAC Name4-(3-acetamidophenyl)-N-butan-2-ylpiperazine-1-carboxamide
SMILESCCC(C)NC(=O)N1CCN(c2cccc(NC(C)=O)c2)CC1
InChIInChI=1S/C17H26N4O2/c1-4-13(2)18-17(23)21-10-8-20(9-11-21)16-7-5-6-15(12-16)19-14(3)22/h5-7,12-13H,4,8-11H2,1-3H3,(H,18,23)(H,19,22)
InChIKeyXCVWEAKWSMCRSK-UHFFFAOYSA-N
XLogP2.28
TPSA64.68 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500318.42
LogP ≤ 52.28
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Analyze 4-(3-acetamidophenyl)-N-butan-2-ylpiperazine-1-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

4-(3-acetamidophenyl)-N-butylpiperazine-1-carboxamide
CID 113103906
N-butan-2-yl-4-(3-cyanophenyl)piperazine-1-carboxamide
CID 113104404
methyl 3-[4-(butan-2-ylcarbamoyl)piperazin-1-yl]benzoate
CID 113104367
N-[(2S)-1-(3-acetamidoanilino)-1-oxopropan-2-yl]-4-phenylpiperazine-1-carboxamide
CID 52897814
N-[3-(4-butanoylpiperazin-1-yl)phenyl]acetamide
CID 113078194
4-(3-acetamidophenyl)-N-[2-(dimethylamino)ethyl]piperazine-1-carboxamide
CID 113105854
4-(3-acetamidophenyl)-N-[(4-methylphenyl)methyl]piperazine-1-carboxamide
CID 113107155
4-(3-acetamidophenyl)-N-(3-methoxypropyl)piperazine-1-carboxamide
CID 113105364
4-(3-acetamidophenyl)-N-[(2-methylphenyl)methyl]piperazine-1-carboxamide
CID 113106787
N-(3-acetamidophenyl)-4-butan-2-ylpiperazine-1-carboxamide
CID 113104244
4-(1,3-benzodioxol-5-yl)-N-butan-2-ylpiperazine-1-carboxamide
CID 113104385
N-butan-2-yl-2-[(3-piperidin-1-ylphenyl)carbamoylamino]propanamide
CID 86862541

Frequently Asked Questions

What is the IUPAC name of 4-(3-acetamidophenyl)-N-butan-2-ylpiperazine-1-carboxamide?
The IUPAC name of 4-(3-acetamidophenyl)-N-butan-2-ylpiperazine-1-carboxamide (CID 113104364) is 4-(3-acetamidophenyl)-N-butan-2-ylpiperazine-1-carboxamide.
What is the SMILES notation for 4-(3-acetamidophenyl)-N-butan-2-ylpiperazine-1-carboxamide?
The canonical SMILES for 4-(3-acetamidophenyl)-N-butan-2-ylpiperazine-1-carboxamide is CCC(C)NC(=O)N1CCN(c2cccc(NC(C)=O)c2)CC1.
What is the InChIKey of 4-(3-acetamidophenyl)-N-butan-2-ylpiperazine-1-carboxamide?
The InChIKey is XCVWEAKWSMCRSK-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H26N4O2/c1-4-13(2)18-17(23)21-10-8-20(9-11-21)16-7-5-6-15(12-16)19-14(3)22/h5-7,12-13H,4,8-11H2,1-3H3,(H,18,23)(H,19,22).
What are the key properties of 4-(3-acetamidophenyl)-N-butan-2-ylpiperazine-1-carboxamide?
4-(3-acetamidophenyl)-N-butan-2-ylpiperazine-1-carboxamide has a molecular weight of 318.42 g/mol, XLogP of 2.28, 4 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(3-acetamidophenyl)-N-butan-2-ylpiperazine-1-carboxamide is sourced from PubChem (CID 113104364), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).