4-(2,5-dimethylphenyl)-N-(3-methylbutyl)piperazine-1-carboxamide

C18H29N3O — CID 113110710

IUPAC4-(2,5-dimethylphenyl)-N-(3-methylbutyl)piperazine-1-carboxamide
SMILESCc1ccc(C)c(N2CCN(C(=O)NCCC(C)C)CC2)c1
InChIInChI=1S/C18H29N3O/c1-14(2)7-8-19-18(22)21-11-9-20(10-12-21)17-13-15(3)5-6-16(17)4/h5-6,13-14H,7-12H2,1-4H3,(H,19,22)
InChIKeyDQYXHFLQBBDPPX-UHFFFAOYSA-N
MW303.45 g/mol
LogP3.18
Rot. Bonds4

About 4-(2,5-dimethylphenyl)-N-(3-methylbutyl)piperazine-1-carboxamide

4-(2,5-dimethylphenyl)-N-(3-methylbutyl)piperazine-1-carboxamide (PubChem CID 113110710) has the molecular formula C18H29N3O and a molecular weight of 303.45 g/mol. Its IUPAC name is 4-(2,5-dimethylphenyl)-N-(3-methylbutyl)piperazine-1-carboxamide.

Molecular Properties

Compound Name4-(2,5-dimethylphenyl)-N-(3-methylbutyl)piperazine-1-carboxamide
PubChem CID113110710
Molecular FormulaC18H29N3O
Molecular Weight303.45 g/mol
Exact Mass303.23
IUPAC Name4-(2,5-dimethylphenyl)-N-(3-methylbutyl)piperazine-1-carboxamide
SMILESCc1ccc(C)c(N2CCN(C(=O)NCCC(C)C)CC2)c1
InChIInChI=1S/C18H29N3O/c1-14(2)7-8-19-18(22)21-11-9-20(10-12-21)17-13-15(3)5-6-16(17)4/h5-6,13-14H,7-12H2,1-4H3,(H,19,22)
InChIKeyDQYXHFLQBBDPPX-UHFFFAOYSA-N
XLogP3.18
TPSA35.58 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500303.45
LogP ≤ 53.18
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

4-(2,5-dimethylphenyl)-N-(2-methylpropyl)piperazine-1-carboxamide
CID 113104070
N-(3-methylbutyl)-4-(4-methylphenyl)piperazine-1-carboxamide
CID 113110708
4-(4-bromo-2-methylphenyl)-N-(3-methylbutyl)piperazine-1-carboxamide
CID 113110767
N-butan-2-yl-4-(2,5-dimethylphenyl)piperazine-1-carboxamide
CID 113104332
N-(3-methylbutyl)-4-(4-pyrrolidin-1-ylphenyl)piperazine-1-carboxamide
CID 113110756
4-(2-ethyl-6-methylphenyl)-N-(3-methylbutyl)piperazine-1-carboxamide
CID 113110716
4-(5-chloro-2-methoxyphenyl)-N-(3-methylbutyl)piperazine-1-carboxamide
CID 113110731
4-(2,4-dimethylphenyl)-N-ethylpiperazine-1-carboxamide
CID 3746757
3-[[4-(2,5-dimethylphenyl)piperazine-1-carbonyl]amino]-3-phenylpropanoic acid
CID 131935496
4-(3-methoxyphenyl)-N-(3-methylbutyl)piperazine-1-carboxamide
CID 86912572
1-[4-(2,5-dimethylphenyl)piperazin-1-yl]-2-(4-methylphenyl)ethanone
CID 113075462
2-[4-(2,5-dimethylphenyl)piperazin-1-yl]-1-(4-propan-2-ylpiperazin-1-yl)ethanone
CID 57442534

Frequently Asked Questions

What is the IUPAC name of 4-(2,5-dimethylphenyl)-N-(3-methylbutyl)piperazine-1-carboxamide?
The IUPAC name of 4-(2,5-dimethylphenyl)-N-(3-methylbutyl)piperazine-1-carboxamide (CID 113110710) is 4-(2,5-dimethylphenyl)-N-(3-methylbutyl)piperazine-1-carboxamide.
What is the SMILES notation for 4-(2,5-dimethylphenyl)-N-(3-methylbutyl)piperazine-1-carboxamide?
The canonical SMILES for 4-(2,5-dimethylphenyl)-N-(3-methylbutyl)piperazine-1-carboxamide is Cc1ccc(C)c(N2CCN(C(=O)NCCC(C)C)CC2)c1.
What is the InChIKey of 4-(2,5-dimethylphenyl)-N-(3-methylbutyl)piperazine-1-carboxamide?
The InChIKey is DQYXHFLQBBDPPX-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H29N3O/c1-14(2)7-8-19-18(22)21-11-9-20(10-12-21)17-13-15(3)5-6-16(17)4/h5-6,13-14H,7-12H2,1-4H3,(H,19,22).
What are the key properties of 4-(2,5-dimethylphenyl)-N-(3-methylbutyl)piperazine-1-carboxamide?
4-(2,5-dimethylphenyl)-N-(3-methylbutyl)piperazine-1-carboxamide has a molecular weight of 303.45 g/mol, XLogP of 3.18, 4 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(2,5-dimethylphenyl)-N-(3-methylbutyl)piperazine-1-carboxamide is sourced from PubChem (CID 113110710), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).