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

C17H27N3O — CID 113104070

IUPAC4-(2,5-dimethylphenyl)-N-(2-methylpropyl)piperazine-1-carboxamide
SMILESCc1ccc(C)c(N2CCN(C(=O)NCC(C)C)CC2)c1
InChIInChI=1S/C17H27N3O/c1-13(2)12-18-17(21)20-9-7-19(8-10-20)16-11-14(3)5-6-15(16)4/h5-6,11,13H,7-10,12H2,1-4H3,(H,18,21)
InChIKeyPLTHNRKLMKLVIN-UHFFFAOYSA-N
MW289.42 g/mol
LogP2.79
Rot. Bonds3

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

4-(2,5-dimethylphenyl)-N-(2-methylpropyl)piperazine-1-carboxamide (PubChem CID 113104070) has the molecular formula C17H27N3O and a molecular weight of 289.42 g/mol. Its IUPAC name is 4-(2,5-dimethylphenyl)-N-(2-methylpropyl)piperazine-1-carboxamide.

Molecular Properties

Compound Name4-(2,5-dimethylphenyl)-N-(2-methylpropyl)piperazine-1-carboxamide
PubChem CID113104070
Molecular FormulaC17H27N3O
Molecular Weight289.42 g/mol
Exact Mass289.22
IUPAC Name4-(2,5-dimethylphenyl)-N-(2-methylpropyl)piperazine-1-carboxamide
SMILESCc1ccc(C)c(N2CCN(C(=O)NCC(C)C)CC2)c1
InChIInChI=1S/C17H27N3O/c1-13(2)12-18-17(21)20-9-7-19(8-10-20)16-11-14(3)5-6-15(16)4/h5-6,11,13H,7-10,12H2,1-4H3,(H,18,21)
InChIKeyPLTHNRKLMKLVIN-UHFFFAOYSA-N
XLogP2.79
TPSA35.58 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500289.42
LogP ≤ 52.79
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

4-(2,5-dimethylphenyl)-N-(3-methylbutyl)piperazine-1-carboxamide
CID 113110710
N-butan-2-yl-4-(2,5-dimethylphenyl)piperazine-1-carboxamide
CID 113104332
N-(2-methylpropyl)-4-(2,4,6-trimethylphenyl)piperazine-1-carboxamide
CID 113104079
4-[4-(diethylamino)-2-methylphenyl]-N-(2-methylpropyl)piperazine-1-carboxamide
CID 113104139
4-(2,4-dimethylphenyl)sulfonyl-N-(2-methylpropyl)piperazine-1-carboxamide
CID 27534466
4-(2-bromophenyl)-N-(2-methylpropyl)piperazine-1-carboxamide
CID 113104118
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-[(4-methylphenyl)methyl]-N-(2-methylpropyl)piperazine-1-carboxamide
CID 113104047
ethyl 4-[[4-(2,5-dimethylphenyl)piperazine-1-carbonyl]amino]benzoate
CID 4995038
3-[4-(2,5-dimethylphenyl)piperazin-1-yl]sulfonyl-N-(2-methylpropyl)thiophene-2-carboxamide
CID 27373993
1-[4-(2,5-dimethylphenyl)piperazin-1-yl]-2-(4-methylphenyl)ethanone
CID 113075462

Frequently Asked Questions

What is the IUPAC name of 4-(2,5-dimethylphenyl)-N-(2-methylpropyl)piperazine-1-carboxamide?
The IUPAC name of 4-(2,5-dimethylphenyl)-N-(2-methylpropyl)piperazine-1-carboxamide (CID 113104070) is 4-(2,5-dimethylphenyl)-N-(2-methylpropyl)piperazine-1-carboxamide.
What is the SMILES notation for 4-(2,5-dimethylphenyl)-N-(2-methylpropyl)piperazine-1-carboxamide?
The canonical SMILES for 4-(2,5-dimethylphenyl)-N-(2-methylpropyl)piperazine-1-carboxamide is Cc1ccc(C)c(N2CCN(C(=O)NCC(C)C)CC2)c1.
What is the InChIKey of 4-(2,5-dimethylphenyl)-N-(2-methylpropyl)piperazine-1-carboxamide?
The InChIKey is PLTHNRKLMKLVIN-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H27N3O/c1-13(2)12-18-17(21)20-9-7-19(8-10-20)16-11-14(3)5-6-15(16)4/h5-6,11,13H,7-10,12H2,1-4H3,(H,18,21).
What are the key properties of 4-(2,5-dimethylphenyl)-N-(2-methylpropyl)piperazine-1-carboxamide?
4-(2,5-dimethylphenyl)-N-(2-methylpropyl)piperazine-1-carboxamide has a molecular weight of 289.42 g/mol, XLogP of 2.79, 3 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-(2-methylpropyl)piperazine-1-carboxamide is sourced from PubChem (CID 113104070), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).