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

C18H29N3O — CID 113104079

IUPACN-(2-methylpropyl)-4-(2,4,6-trimethylphenyl)piperazine-1-carboxamide
SMILESCc1cc(C)c(N2CCN(C(=O)NCC(C)C)CC2)c(C)c1
InChIInChI=1S/C18H29N3O/c1-13(2)12-19-18(22)21-8-6-20(7-9-21)17-15(4)10-14(3)11-16(17)5/h10-11,13H,6-9,12H2,1-5H3,(H,19,22)
InChIKeyPIPGTHXVUWGXQP-UHFFFAOYSA-N
MW303.45 g/mol
LogP3.10
Rot. Bonds3

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

N-(2-methylpropyl)-4-(2,4,6-trimethylphenyl)piperazine-1-carboxamide (PubChem CID 113104079) has the molecular formula C18H29N3O and a molecular weight of 303.45 g/mol. Its IUPAC name is N-(2-methylpropyl)-4-(2,4,6-trimethylphenyl)piperazine-1-carboxamide.

Molecular Properties

Compound NameN-(2-methylpropyl)-4-(2,4,6-trimethylphenyl)piperazine-1-carboxamide
PubChem CID113104079
Molecular FormulaC18H29N3O
Molecular Weight303.45 g/mol
Exact Mass303.23
IUPAC NameN-(2-methylpropyl)-4-(2,4,6-trimethylphenyl)piperazine-1-carboxamide
SMILESCc1cc(C)c(N2CCN(C(=O)NCC(C)C)CC2)c(C)c1
InChIInChI=1S/C18H29N3O/c1-13(2)12-19-18(22)21-8-6-20(7-9-21)17-15(4)10-14(3)11-16(17)5/h10-11,13H,6-9,12H2,1-5H3,(H,19,22)
InChIKeyPIPGTHXVUWGXQP-UHFFFAOYSA-N
XLogP3.10
TPSA35.58 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500303.45
LogP ≤ 53.10
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

N-propan-2-yl-4-(2,4,6-trimethylphenyl)piperazine-1-carboxamide
CID 113076318
4-(2,5-dimethylphenyl)-N-(2-methylpropyl)piperazine-1-carboxamide
CID 113104070
N-benzyl-4-(2,4,6-trimethylphenyl)piperazine-1-carboxamide
CID 113106580
2-methyl-1-[4-(2,4,6-trimethylphenyl)piperazin-1-yl]propan-1-one
CID 113076267
4-(5-methyl-1,2-oxazol-3-yl)-N-(2-methylpropyl)piperazine-1-carboxamide
CID 113104147
4-(2,4-dimethylphenyl)sulfonyl-N-(2-methylpropyl)piperazine-1-carboxamide
CID 27534466
methyl 4-(2,4,6-trimethylphenyl)piperazine-1-carboxylate
CID 113076313
3-oxo-3-[4-(2,4,6-trimethylphenyl)piperazin-1-yl]propanoate
CID 2051651
N-[2-(4-methoxyphenoxy)ethyl]-4-(2,4,6-trimethylphenyl)piperazine-1-carboxamide
CID 113110280
4-[4-(diethylamino)-2-methylphenyl]-N-(2-methylpropyl)piperazine-1-carboxamide
CID 113104139
4-[(4-methylphenyl)methyl]-N-(2-methylpropyl)piperazine-1-carboxamide
CID 113104047
4-(4-ethylphenyl)-N-(2-methylpropyl)piperazine-1-carboxamide
CID 113104075

Frequently Asked Questions

What is the IUPAC name of N-(2-methylpropyl)-4-(2,4,6-trimethylphenyl)piperazine-1-carboxamide?
The IUPAC name of N-(2-methylpropyl)-4-(2,4,6-trimethylphenyl)piperazine-1-carboxamide (CID 113104079) is N-(2-methylpropyl)-4-(2,4,6-trimethylphenyl)piperazine-1-carboxamide.
What is the SMILES notation for N-(2-methylpropyl)-4-(2,4,6-trimethylphenyl)piperazine-1-carboxamide?
The canonical SMILES for N-(2-methylpropyl)-4-(2,4,6-trimethylphenyl)piperazine-1-carboxamide is Cc1cc(C)c(N2CCN(C(=O)NCC(C)C)CC2)c(C)c1.
What is the InChIKey of N-(2-methylpropyl)-4-(2,4,6-trimethylphenyl)piperazine-1-carboxamide?
The InChIKey is PIPGTHXVUWGXQP-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H29N3O/c1-13(2)12-19-18(22)21-8-6-20(7-9-21)17-15(4)10-14(3)11-16(17)5/h10-11,13H,6-9,12H2,1-5H3,(H,19,22).
What are the key properties of N-(2-methylpropyl)-4-(2,4,6-trimethylphenyl)piperazine-1-carboxamide?
N-(2-methylpropyl)-4-(2,4,6-trimethylphenyl)piperazine-1-carboxamide has a molecular weight of 303.45 g/mol, XLogP of 3.10, 3 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-(2-methylpropyl)-4-(2,4,6-trimethylphenyl)piperazine-1-carboxamide is sourced from PubChem (CID 113104079), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).