4-(2-ethyl-6-methylphenyl)-N-(3-methylbutyl)piperazine-1-carboxamide

C19H31N3O — CID 113110716

IUPAC4-(2-ethyl-6-methylphenyl)-N-(3-methylbutyl)piperazine-1-carboxamide
SMILESCCc1cccc(C)c1N1CCN(C(=O)NCCC(C)C)CC1
InChIInChI=1S/C19H31N3O/c1-5-17-8-6-7-16(4)18(17)21-11-13-22(14-12-21)19(23)20-10-9-15(2)3/h6-8,15H,5,9-14H2,1-4H3,(H,20,23)
InChIKeySAOSHINMUIZSMK-UHFFFAOYSA-N
MW317.48 g/mol
LogP3.44
Rot. Bonds5

About 4-(2-ethyl-6-methylphenyl)-N-(3-methylbutyl)piperazine-1-carboxamide

4-(2-ethyl-6-methylphenyl)-N-(3-methylbutyl)piperazine-1-carboxamide (PubChem CID 113110716) has the molecular formula C19H31N3O and a molecular weight of 317.48 g/mol. Its IUPAC name is 4-(2-ethyl-6-methylphenyl)-N-(3-methylbutyl)piperazine-1-carboxamide.

Molecular Properties

Compound Name4-(2-ethyl-6-methylphenyl)-N-(3-methylbutyl)piperazine-1-carboxamide
PubChem CID113110716
Molecular FormulaC19H31N3O
Molecular Weight317.48 g/mol
Exact Mass317.25
IUPAC Name4-(2-ethyl-6-methylphenyl)-N-(3-methylbutyl)piperazine-1-carboxamide
SMILESCCc1cccc(C)c1N1CCN(C(=O)NCCC(C)C)CC1
InChIInChI=1S/C19H31N3O/c1-5-17-8-6-7-16(4)18(17)21-11-13-22(14-12-21)19(23)20-10-9-15(2)3/h6-8,15H,5,9-14H2,1-4H3,(H,20,23)
InChIKeySAOSHINMUIZSMK-UHFFFAOYSA-N
XLogP3.44
TPSA35.58 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500317.48
LogP ≤ 53.44
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

N-(3-methylbutyl)-4-(4-methylphenyl)piperazine-1-carboxamide
CID 113110708
4-(2,5-dimethylphenyl)-N-(3-methylbutyl)piperazine-1-carboxamide
CID 113110710
N-(3-acetamidophenyl)-4-(2-ethyl-6-methylphenyl)piperazine-1-carboxamide
CID 113112200
N-(3-methylbutyl)-4-(4-pyrrolidin-1-ylphenyl)piperazine-1-carboxamide
CID 113110756
4-(4-bromo-2-methylphenyl)-N-(3-methylbutyl)piperazine-1-carboxamide
CID 113110767
4-(3-methoxyphenyl)-N-(3-methylbutyl)piperazine-1-carboxamide
CID 86912572
1-[4-(2,6-diethylphenyl)piperazin-1-yl]ethanone
CID 113076338
1-(2-ethyl-6-methylphenyl)pyrrolidine
CID 168515642
cyclohexyl-[4-(2-ethyl-6-methylphenyl)piperazin-1-yl]methanone
CID 113075979
4-(2,6-dimethylphenyl)-N-[2-(4-methoxyphenoxy)ethyl]piperazine-1-carboxamide
CID 113110274
N-[2-(4-methoxyphenyl)ethyl]-4-(2-methyl-6-propan-2-ylphenyl)piperazine-1-carboxamide
CID 113109567
[4-(2-ethyl-6-methylphenyl)piperazin-1-yl]-(2,3,4-trifluorophenyl)methanone
CID 113076018

Frequently Asked Questions

What is the IUPAC name of 4-(2-ethyl-6-methylphenyl)-N-(3-methylbutyl)piperazine-1-carboxamide?
The IUPAC name of 4-(2-ethyl-6-methylphenyl)-N-(3-methylbutyl)piperazine-1-carboxamide (CID 113110716) is 4-(2-ethyl-6-methylphenyl)-N-(3-methylbutyl)piperazine-1-carboxamide.
What is the SMILES notation for 4-(2-ethyl-6-methylphenyl)-N-(3-methylbutyl)piperazine-1-carboxamide?
The canonical SMILES for 4-(2-ethyl-6-methylphenyl)-N-(3-methylbutyl)piperazine-1-carboxamide is CCc1cccc(C)c1N1CCN(C(=O)NCCC(C)C)CC1.
What is the InChIKey of 4-(2-ethyl-6-methylphenyl)-N-(3-methylbutyl)piperazine-1-carboxamide?
The InChIKey is SAOSHINMUIZSMK-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H31N3O/c1-5-17-8-6-7-16(4)18(17)21-11-13-22(14-12-21)19(23)20-10-9-15(2)3/h6-8,15H,5,9-14H2,1-4H3,(H,20,23).
What are the key properties of 4-(2-ethyl-6-methylphenyl)-N-(3-methylbutyl)piperazine-1-carboxamide?
4-(2-ethyl-6-methylphenyl)-N-(3-methylbutyl)piperazine-1-carboxamide has a molecular weight of 317.48 g/mol, XLogP of 3.44, 5 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(2-ethyl-6-methylphenyl)-N-(3-methylbutyl)piperazine-1-carboxamide is sourced from PubChem (CID 113110716), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).