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

C17H27N3O — CID 113076318

IUPACN-propan-2-yl-4-(2,4,6-trimethylphenyl)piperazine-1-carboxamide
SMILESCc1cc(C)c(N2CCN(C(=O)NC(C)C)CC2)c(C)c1
InChIInChI=1S/C17H27N3O/c1-12(2)18-17(21)20-8-6-19(7-9-20)16-14(4)10-13(3)11-15(16)5/h10-12H,6-9H2,1-5H3,(H,18,21)
InChIKeyXUGYSIBVRJUYNB-UHFFFAOYSA-N
MW289.42 g/mol
LogP2.85
Rot. Bonds2

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

N-propan-2-yl-4-(2,4,6-trimethylphenyl)piperazine-1-carboxamide (PubChem CID 113076318) has the molecular formula C17H27N3O and a molecular weight of 289.42 g/mol. Its IUPAC name is N-propan-2-yl-4-(2,4,6-trimethylphenyl)piperazine-1-carboxamide.

Molecular Properties

Compound NameN-propan-2-yl-4-(2,4,6-trimethylphenyl)piperazine-1-carboxamide
PubChem CID113076318
Molecular FormulaC17H27N3O
Molecular Weight289.42 g/mol
Exact Mass289.22
IUPAC NameN-propan-2-yl-4-(2,4,6-trimethylphenyl)piperazine-1-carboxamide
SMILESCc1cc(C)c(N2CCN(C(=O)NC(C)C)CC2)c(C)c1
InChIInChI=1S/C17H27N3O/c1-12(2)18-17(21)20-8-6-19(7-9-20)16-14(4)10-13(3)11-15(16)5/h10-12H,6-9H2,1-5H3,(H,18,21)
InChIKeyXUGYSIBVRJUYNB-UHFFFAOYSA-N
XLogP2.85
TPSA35.58 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500289.42
LogP ≤ 52.85
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

N-(2-methylpropyl)-4-(2,4,6-trimethylphenyl)piperazine-1-carboxamide
CID 113104079
2-methyl-1-[4-(2,4,6-trimethylphenyl)piperazin-1-yl]propan-1-one
CID 113076267
methyl 4-(2,4,6-trimethylphenyl)piperazine-1-carboxylate
CID 113076313
N-(4-pyrrolidin-1-ylphenyl)-4-(2,4,6-trimethylphenyl)piperazine-1-carboxamide
CID 113112439
4-(5-chloro-2-methylphenyl)-N-propan-2-ylpiperazine-1-carboxamide
CID 17424002
3-oxo-3-[4-(2,4,6-trimethylphenyl)piperazin-1-yl]propanoate
CID 2051651
N-benzyl-4-(2,4,6-trimethylphenyl)piperazine-1-carboxamide
CID 113106580
oxolan-2-yl-[4-(2,4,6-trimethylphenyl)piperazin-1-yl]methanone
CID 113076272
N-propan-2-ylazetidine-1-carboxamide
CID 126972093
4-(3-aminophenyl)-N-propan-2-ylpiperazine-1-carboxamide
CID 43461737
4-(4-tert-butylphenyl)-N-propan-2-ylpiperazine-1-carboxamide
CID 113076586
4-(4-methylquinolin-2-yl)-N-propan-2-ylpiperazine-1-carboxamide;hydrochloride
CID 45370344

Frequently Asked Questions

What is the IUPAC name of N-propan-2-yl-4-(2,4,6-trimethylphenyl)piperazine-1-carboxamide?
The IUPAC name of N-propan-2-yl-4-(2,4,6-trimethylphenyl)piperazine-1-carboxamide (CID 113076318) is N-propan-2-yl-4-(2,4,6-trimethylphenyl)piperazine-1-carboxamide.
What is the SMILES notation for N-propan-2-yl-4-(2,4,6-trimethylphenyl)piperazine-1-carboxamide?
The canonical SMILES for N-propan-2-yl-4-(2,4,6-trimethylphenyl)piperazine-1-carboxamide is Cc1cc(C)c(N2CCN(C(=O)NC(C)C)CC2)c(C)c1.
What is the InChIKey of N-propan-2-yl-4-(2,4,6-trimethylphenyl)piperazine-1-carboxamide?
The InChIKey is XUGYSIBVRJUYNB-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H27N3O/c1-12(2)18-17(21)20-8-6-19(7-9-20)16-14(4)10-13(3)11-15(16)5/h10-12H,6-9H2,1-5H3,(H,18,21).
What are the key properties of N-propan-2-yl-4-(2,4,6-trimethylphenyl)piperazine-1-carboxamide?
N-propan-2-yl-4-(2,4,6-trimethylphenyl)piperazine-1-carboxamide has a molecular weight of 289.42 g/mol, XLogP of 2.85, 2 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-propan-2-yl-4-(2,4,6-trimethylphenyl)piperazine-1-carboxamide is sourced from PubChem (CID 113076318), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).