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

C18H29N3O — CID 113103802

IUPAC4-butyl-N-(2-ethyl-6-methylphenyl)piperazine-1-carboxamide
SMILESCCCCN1CCN(C(=O)Nc2c(C)cccc2CC)CC1
InChIInChI=1S/C18H29N3O/c1-4-6-10-20-11-13-21(14-12-20)18(22)19-17-15(3)8-7-9-16(17)5-2/h7-9H,4-6,10-14H2,1-3H3,(H,19,22)
InChIKeyQUVMZLHZRODEIE-UHFFFAOYSA-N
MW303.45 g/mol
LogP3.51
Rot. Bonds5

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

4-butyl-N-(2-ethyl-6-methylphenyl)piperazine-1-carboxamide (PubChem CID 113103802) has the molecular formula C18H29N3O and a molecular weight of 303.45 g/mol. Its IUPAC name is 4-butyl-N-(2-ethyl-6-methylphenyl)piperazine-1-carboxamide.

Molecular Properties

Compound Name4-butyl-N-(2-ethyl-6-methylphenyl)piperazine-1-carboxamide
PubChem CID113103802
Molecular FormulaC18H29N3O
Molecular Weight303.45 g/mol
Exact Mass303.23
IUPAC Name4-butyl-N-(2-ethyl-6-methylphenyl)piperazine-1-carboxamide
SMILESCCCCN1CCN(C(=O)Nc2c(C)cccc2CC)CC1
InChIInChI=1S/C18H29N3O/c1-4-6-10-20-11-13-21(14-12-20)18(22)19-17-15(3)8-7-9-16(17)5-2/h7-9H,4-6,10-14H2,1-3H3,(H,19,22)
InChIKeyQUVMZLHZRODEIE-UHFFFAOYSA-N
XLogP3.51
TPSA35.58 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500303.45
LogP ≤ 53.51
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

N-(2,6-dimethylphenyl)-4-pentylpiperazine-1-carboxamide
CID 113110798
N-(2-ethyl-6-methylphenyl)-4-[2-(4-methoxyphenoxy)ethyl]piperazine-1-carboxamide
CID 113110243
N-(2-ethyl-6-methylphenyl)piperazine-1-carboxamide
CID 82086576
N-(2-ethyl-6-methylphenyl)-4-pyridin-4-ylpiperazine-1-carboxamide
CID 86986479
2-(4-butylpiperazin-1-yl)-N-(2,6-dimethylphenyl)acetamide
CID 11666629
4-pentyl-N-(2,4,6-trimethylphenyl)piperazine-1-carboxamide
CID 113110801
N-(2,6-dimethylphenyl)-4-(2-methoxyethyl)piperazine-1-carboxamide
CID 113104947
N-(2,6-diethylphenyl)-4-(2-thiophen-2-ylethyl)piperazine-1-carboxamide
CID 3600955
2-[(4-ethylpiperazine-1-carbonyl)amino]-3-methylbenzoic acid
CID 61190598
N-(2-ethyl-6-methylphenyl)-3-pyrrolidin-1-ylpropanamide
CID 110688197
N-(2-ethyl-6-methylphenyl)-3-hydroxypiperidine-1-carboxamide
CID 47192750
4-butyl-N-(5,6,7,8-tetrahydronaphthalen-1-yl)piperazine-1-carboxamide
CID 20795339

Frequently Asked Questions

What is the IUPAC name of 4-butyl-N-(2-ethyl-6-methylphenyl)piperazine-1-carboxamide?
The IUPAC name of 4-butyl-N-(2-ethyl-6-methylphenyl)piperazine-1-carboxamide (CID 113103802) is 4-butyl-N-(2-ethyl-6-methylphenyl)piperazine-1-carboxamide.
What is the SMILES notation for 4-butyl-N-(2-ethyl-6-methylphenyl)piperazine-1-carboxamide?
The canonical SMILES for 4-butyl-N-(2-ethyl-6-methylphenyl)piperazine-1-carboxamide is CCCCN1CCN(C(=O)Nc2c(C)cccc2CC)CC1.
What is the InChIKey of 4-butyl-N-(2-ethyl-6-methylphenyl)piperazine-1-carboxamide?
The InChIKey is QUVMZLHZRODEIE-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H29N3O/c1-4-6-10-20-11-13-21(14-12-20)18(22)19-17-15(3)8-7-9-16(17)5-2/h7-9H,4-6,10-14H2,1-3H3,(H,19,22).
What are the key properties of 4-butyl-N-(2-ethyl-6-methylphenyl)piperazine-1-carboxamide?
4-butyl-N-(2-ethyl-6-methylphenyl)piperazine-1-carboxamide has a molecular weight of 303.45 g/mol, XLogP of 3.51, 5 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 4-butyl-N-(2-ethyl-6-methylphenyl)piperazine-1-carboxamide is sourced from PubChem (CID 113103802), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).