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

C20H34N4O — CID 113104139

IUPAC4-[4-(diethylamino)-2-methylphenyl]-N-(2-methylpropyl)piperazine-1-carboxamide
SMILESCCN(CC)c1ccc(N2CCN(C(=O)NCC(C)C)CC2)c(C)c1
InChIInChI=1S/C20H34N4O/c1-6-22(7-2)18-8-9-19(17(5)14-18)23-10-12-24(13-11-23)20(25)21-15-16(3)4/h8-9,14,16H,6-7,10-13,15H2,1-5H3,(H,21,25)
InChIKeyZNKKCCKIKPTRDZ-UHFFFAOYSA-N
MW346.52 g/mol
LogP3.33
Rot. Bonds6

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

4-[4-(diethylamino)-2-methylphenyl]-N-(2-methylpropyl)piperazine-1-carboxamide (PubChem CID 113104139) has the molecular formula C20H34N4O and a molecular weight of 346.52 g/mol. Its IUPAC name is 4-[4-(diethylamino)-2-methylphenyl]-N-(2-methylpropyl)piperazine-1-carboxamide.

Molecular Properties

Compound Name4-[4-(diethylamino)-2-methylphenyl]-N-(2-methylpropyl)piperazine-1-carboxamide
PubChem CID113104139
Molecular FormulaC20H34N4O
Molecular Weight346.52 g/mol
Exact Mass346.27
IUPAC Name4-[4-(diethylamino)-2-methylphenyl]-N-(2-methylpropyl)piperazine-1-carboxamide
SMILESCCN(CC)c1ccc(N2CCN(C(=O)NCC(C)C)CC2)c(C)c1
InChIInChI=1S/C20H34N4O/c1-6-22(7-2)18-8-9-19(17(5)14-18)23-10-12-24(13-11-23)20(25)21-15-16(3)4/h8-9,14,16H,6-7,10-13,15H2,1-5H3,(H,21,25)
InChIKeyZNKKCCKIKPTRDZ-UHFFFAOYSA-N
XLogP3.33
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 ≤ 53.33
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

4-[4-(diethylamino)-2-methylphenyl]-N-prop-2-enylpiperazine-1-carboxamide
CID 113103750
4-[4-(diethylamino)-2-methylphenyl]-N-(2-methoxyethyl)piperazine-1-carboxamide
CID 113105145
1-[4-[4-(diethylamino)-2-methylphenyl]piperazin-1-yl]ethanone
CID 113080662
4-[4-(diethylamino)-2-methylphenyl]-N-[3-(dimethylamino)propyl]piperazine-1-carboxamide
CID 113106359
4-[4-(diethylamino)-2-methylphenyl]-N-(pyridin-2-ylmethyl)piperazine-1-carboxamide
CID 113108473
N-cyclohexyl-4-[4-(diethylamino)-2-methylphenyl]piperazine-1-carboxamide
CID 113080706
4-(2,5-dimethylphenyl)-N-(2-methylpropyl)piperazine-1-carboxamide
CID 113104070
4-(2,4-dimethylphenyl)-N-ethylpiperazine-1-carboxamide
CID 3746757
N-(2-methylpropyl)-4-(2,4,6-trimethylphenyl)piperazine-1-carboxamide
CID 113104079
1-[4-[4-(diethylamino)-2-methylphenyl]piperazin-1-yl]-2-phenoxyethanone
CID 113080691
N,N-diethyl-3-methyl-4-(4-methylsulfonylpiperazin-1-yl)aniline
CID 113080714
4-(4-bromo-2-methylphenyl)-N-(3-methylbutyl)piperazine-1-carboxamide
CID 113110767

Frequently Asked Questions

What is the IUPAC name of 4-[4-(diethylamino)-2-methylphenyl]-N-(2-methylpropyl)piperazine-1-carboxamide?
The IUPAC name of 4-[4-(diethylamino)-2-methylphenyl]-N-(2-methylpropyl)piperazine-1-carboxamide (CID 113104139) is 4-[4-(diethylamino)-2-methylphenyl]-N-(2-methylpropyl)piperazine-1-carboxamide.
What is the SMILES notation for 4-[4-(diethylamino)-2-methylphenyl]-N-(2-methylpropyl)piperazine-1-carboxamide?
The canonical SMILES for 4-[4-(diethylamino)-2-methylphenyl]-N-(2-methylpropyl)piperazine-1-carboxamide is CCN(CC)c1ccc(N2CCN(C(=O)NCC(C)C)CC2)c(C)c1.
What is the InChIKey of 4-[4-(diethylamino)-2-methylphenyl]-N-(2-methylpropyl)piperazine-1-carboxamide?
The InChIKey is ZNKKCCKIKPTRDZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H34N4O/c1-6-22(7-2)18-8-9-19(17(5)14-18)23-10-12-24(13-11-23)20(25)21-15-16(3)4/h8-9,14,16H,6-7,10-13,15H2,1-5H3,(H,21,25).
What are the key properties of 4-[4-(diethylamino)-2-methylphenyl]-N-(2-methylpropyl)piperazine-1-carboxamide?
4-[4-(diethylamino)-2-methylphenyl]-N-(2-methylpropyl)piperazine-1-carboxamide has a molecular weight of 346.52 g/mol, XLogP of 3.33, 6 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[4-(diethylamino)-2-methylphenyl]-N-(2-methylpropyl)piperazine-1-carboxamide is sourced from PubChem (CID 113104139), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).