4-pentyl-N-(2,4,6-trimethylphenyl)piperazine-1-carboxamide

C19H31N3O — CID 113110801

IUPAC4-pentyl-N-(2,4,6-trimethylphenyl)piperazine-1-carboxamide
SMILESCCCCCN1CCN(C(=O)Nc2c(C)cc(C)cc2C)CC1
InChIInChI=1S/C19H31N3O/c1-5-6-7-8-21-9-11-22(12-10-21)19(23)20-18-16(3)13-15(2)14-17(18)4/h13-14H,5-12H2,1-4H3,(H,20,23)
InChIKeyDUCWBSXLHDTJNN-UHFFFAOYSA-N
MW317.48 g/mol
LogP3.95
Rot. Bonds5

About 4-pentyl-N-(2,4,6-trimethylphenyl)piperazine-1-carboxamide

4-pentyl-N-(2,4,6-trimethylphenyl)piperazine-1-carboxamide (PubChem CID 113110801) has the molecular formula C19H31N3O and a molecular weight of 317.48 g/mol. Its IUPAC name is 4-pentyl-N-(2,4,6-trimethylphenyl)piperazine-1-carboxamide.

Molecular Properties

Compound Name4-pentyl-N-(2,4,6-trimethylphenyl)piperazine-1-carboxamide
PubChem CID113110801
Molecular FormulaC19H31N3O
Molecular Weight317.48 g/mol
Exact Mass317.25
IUPAC Name4-pentyl-N-(2,4,6-trimethylphenyl)piperazine-1-carboxamide
SMILESCCCCCN1CCN(C(=O)Nc2c(C)cc(C)cc2C)CC1
InChIInChI=1S/C19H31N3O/c1-5-6-7-8-21-9-11-22(12-10-21)19(23)20-18-16(3)13-15(2)14-17(18)4/h13-14H,5-12H2,1-4H3,(H,20,23)
InChIKeyDUCWBSXLHDTJNN-UHFFFAOYSA-N
XLogP3.95
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 ≤ 53.95
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Related Compounds

N-(2-chloro-4,6-dimethylphenyl)-4-pentylpiperazine-1-carboxamide
CID 113110807
N-(2,6-dimethylphenyl)-4-pentylpiperazine-1-carboxamide
CID 113110798
N-(4-methylphenyl)-4-pentylpiperazine-1-carboxamide
CID 17184975
4-[(4-methylphenyl)methyl]-N-(2,4,6-trimethylphenyl)piperazine-1-carboxamide
CID 113107050
4-butyl-N-(2-ethyl-6-methylphenyl)piperazine-1-carboxamide
CID 113103802
4-[2-(4-methoxyphenyl)ethyl]-N-(2,4,6-trimethylphenyl)piperazine-1-carboxamide
CID 113109503
2-[4-(2-hydroxyethyl)piperazin-1-yl]-2-oxo-N-(2,4,6-trimethylphenyl)acetamide
CID 108512226
N-(2-chloro-4,6-dimethylphenyl)-4-methylpiperazine-1-carboxamide
CID 108988438
N-(2-chloro-4,6-dimethylphenyl)-4-[2-(4-fluorophenyl)ethyl]piperazine-1-carboxamide
CID 113109121
N-(3-chlorophenyl)-4-pentylpiperazine-1-carboxamide
CID 17184978
4-(azepan-1-yl)-N-(2,4,6-trimethylphenyl)butanamide
CID 3078502
ethyl 4-[(4-pentylpiperazine-1-carbonyl)amino]benzoate
CID 17185017

Frequently Asked Questions

What is the IUPAC name of 4-pentyl-N-(2,4,6-trimethylphenyl)piperazine-1-carboxamide?
The IUPAC name of 4-pentyl-N-(2,4,6-trimethylphenyl)piperazine-1-carboxamide (CID 113110801) is 4-pentyl-N-(2,4,6-trimethylphenyl)piperazine-1-carboxamide.
What is the SMILES notation for 4-pentyl-N-(2,4,6-trimethylphenyl)piperazine-1-carboxamide?
The canonical SMILES for 4-pentyl-N-(2,4,6-trimethylphenyl)piperazine-1-carboxamide is CCCCCN1CCN(C(=O)Nc2c(C)cc(C)cc2C)CC1.
What is the InChIKey of 4-pentyl-N-(2,4,6-trimethylphenyl)piperazine-1-carboxamide?
The InChIKey is DUCWBSXLHDTJNN-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H31N3O/c1-5-6-7-8-21-9-11-22(12-10-21)19(23)20-18-16(3)13-15(2)14-17(18)4/h13-14H,5-12H2,1-4H3,(H,20,23).
What are the key properties of 4-pentyl-N-(2,4,6-trimethylphenyl)piperazine-1-carboxamide?
4-pentyl-N-(2,4,6-trimethylphenyl)piperazine-1-carboxamide has a molecular weight of 317.48 g/mol, XLogP of 3.95, 5 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 4-pentyl-N-(2,4,6-trimethylphenyl)piperazine-1-carboxamide is sourced from PubChem (CID 113110801), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).