4-butan-2-yl-N-[4-(diethylamino)-2-methylphenyl]piperazine-1-carboxamide

C20H34N4O — CID 113104284

IUPAC4-butan-2-yl-N-[4-(diethylamino)-2-methylphenyl]piperazine-1-carboxamide
SMILESCCC(C)N1CCN(C(=O)Nc2ccc(N(CC)CC)cc2C)CC1
InChIInChI=1S/C20H34N4O/c1-6-17(5)23-11-13-24(14-12-23)20(25)21-19-10-9-18(15-16(19)4)22(7-2)8-3/h9-10,15,17H,6-8,11-14H2,1-5H3,(H,21,25)
InChIKeyHQGPDRRGHRKBHP-UHFFFAOYSA-N
MW346.52 g/mol
LogP3.79
Rot. Bonds6

About 4-butan-2-yl-N-[4-(diethylamino)-2-methylphenyl]piperazine-1-carboxamide

4-butan-2-yl-N-[4-(diethylamino)-2-methylphenyl]piperazine-1-carboxamide (PubChem CID 113104284) has the molecular formula C20H34N4O and a molecular weight of 346.52 g/mol. Its IUPAC name is 4-butan-2-yl-N-[4-(diethylamino)-2-methylphenyl]piperazine-1-carboxamide.

Molecular Properties

Compound Name4-butan-2-yl-N-[4-(diethylamino)-2-methylphenyl]piperazine-1-carboxamide
PubChem CID113104284
Molecular FormulaC20H34N4O
Molecular Weight346.52 g/mol
Exact Mass346.27
IUPAC Name4-butan-2-yl-N-[4-(diethylamino)-2-methylphenyl]piperazine-1-carboxamide
SMILESCCC(C)N1CCN(C(=O)Nc2ccc(N(CC)CC)cc2C)CC1
InChIInChI=1S/C20H34N4O/c1-6-17(5)23-11-13-24(14-12-23)20(25)21-19-10-9-18(15-16(19)4)22(7-2)8-3/h9-10,15,17H,6-8,11-14H2,1-5H3,(H,21,25)
InChIKeyHQGPDRRGHRKBHP-UHFFFAOYSA-N
XLogP3.79
TPSA38.82 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500346.52
LogP ≤ 53.79
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'anil_di_alk_A(478)', 'substructure': 'N/A'}

Analyze 4-butan-2-yl-N-[4-(diethylamino)-2-methylphenyl]piperazine-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

N-[4-(diethylamino)-2-methylphenyl]-4-[(4-fluorophenyl)methyl]piperazine-1-carboxamide
CID 113107613
4-butan-2-yl-N-(3,4-dimethylphenyl)piperazine-1-carboxamide
CID 113104199
N-[4-(diethylamino)-2-methylphenyl]-2-(4-methylpiperidin-1-yl)-2-oxoacetamide
CID 108504667
4-butan-2-yl-N-(4-methylphenyl)piperazine-1-carboxamide
CID 113104196
4-butan-2-yl-N-(3-fluorophenyl)piperazine-1-carboxamide
CID 113104260
(2S)-2-amino-N-[4-(diethylamino)-2-methylphenyl]-3-methylbutanamide
CID 22690785
methyl N-[4-(diethylamino)-2-methylphenyl]carbamate
CID 113098982
N-(3-acetamidophenyl)-4-butan-2-ylpiperazine-1-carboxamide
CID 113104244
N-[4-(diethylamino)-2-methylphenyl]butanamide
CID 837078
N-[4-(diethylamino)-2-methylphenyl]-2-(4-methylpiperazin-1-yl)acetamide
CID 44753800
1-(4-butan-2-ylphenyl)ethyl N-[4-(diethylamino)-2-methylphenyl]carbamate
CID 23514727
4-[4-(diethylamino)-2-methylphenyl]-N-(2-methylpropyl)piperazine-1-carboxamide
CID 113104139

Frequently Asked Questions

What is the IUPAC name of 4-butan-2-yl-N-[4-(diethylamino)-2-methylphenyl]piperazine-1-carboxamide?
The IUPAC name of 4-butan-2-yl-N-[4-(diethylamino)-2-methylphenyl]piperazine-1-carboxamide (CID 113104284) is 4-butan-2-yl-N-[4-(diethylamino)-2-methylphenyl]piperazine-1-carboxamide.
What is the SMILES notation for 4-butan-2-yl-N-[4-(diethylamino)-2-methylphenyl]piperazine-1-carboxamide?
The canonical SMILES for 4-butan-2-yl-N-[4-(diethylamino)-2-methylphenyl]piperazine-1-carboxamide is CCC(C)N1CCN(C(=O)Nc2ccc(N(CC)CC)cc2C)CC1.
What is the InChIKey of 4-butan-2-yl-N-[4-(diethylamino)-2-methylphenyl]piperazine-1-carboxamide?
The InChIKey is HQGPDRRGHRKBHP-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H34N4O/c1-6-17(5)23-11-13-24(14-12-23)20(25)21-19-10-9-18(15-16(19)4)22(7-2)8-3/h9-10,15,17H,6-8,11-14H2,1-5H3,(H,21,25).
What are the key properties of 4-butan-2-yl-N-[4-(diethylamino)-2-methylphenyl]piperazine-1-carboxamide?
4-butan-2-yl-N-[4-(diethylamino)-2-methylphenyl]piperazine-1-carboxamide has a molecular weight of 346.52 g/mol, XLogP of 3.79, 6 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-butan-2-yl-N-[4-(diethylamino)-2-methylphenyl]piperazine-1-carboxamide is sourced from PubChem (CID 113104284), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).