4-(4-tert-butylphenyl)-N,2,6-trimethylpiperazine-1-carboxamide

C18H29N3O — CID 129258257

IUPAC4-(4-tert-butylphenyl)-N,2,6-trimethylpiperazine-1-carboxamide
SMILESCNC(=O)N1C(C)CN(c2ccc(C(C)(C)C)cc2)CC1C
InChIInChI=1S/C18H29N3O/c1-13-11-20(12-14(2)21(13)17(22)19-6)16-9-7-15(8-10-16)18(3,4)5/h7-10,13-14H,11-12H2,1-6H3,(H,19,22)
InChIKeyPJUYTADUPJYAQP-UHFFFAOYSA-N
MW303.45 g/mol
LogP3.22
Rot. Bonds1

About 4-(4-tert-butylphenyl)-N,2,6-trimethylpiperazine-1-carboxamide

4-(4-tert-butylphenyl)-N,2,6-trimethylpiperazine-1-carboxamide (PubChem CID 129258257) has the molecular formula C18H29N3O and a molecular weight of 303.45 g/mol. Its IUPAC name is 4-(4-tert-butylphenyl)-N,2,6-trimethylpiperazine-1-carboxamide.

Molecular Properties

Compound Name4-(4-tert-butylphenyl)-N,2,6-trimethylpiperazine-1-carboxamide
PubChem CID129258257
Molecular FormulaC18H29N3O
Molecular Weight303.45 g/mol
Exact Mass303.23
IUPAC Name4-(4-tert-butylphenyl)-N,2,6-trimethylpiperazine-1-carboxamide
SMILESCNC(=O)N1C(C)CN(c2ccc(C(C)(C)C)cc2)CC1C
InChIInChI=1S/C18H29N3O/c1-13-11-20(12-14(2)21(13)17(22)19-6)16-9-7-15(8-10-16)18(3,4)5/h7-10,13-14H,11-12H2,1-6H3,(H,19,22)
InChIKeyPJUYTADUPJYAQP-UHFFFAOYSA-N
XLogP3.22
TPSA35.58 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500303.45
LogP ≤ 53.22
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 4-(4-tert-butylphenyl)-N,2,6-trimethylpiperazine-1-carboxamide?
The IUPAC name of 4-(4-tert-butylphenyl)-N,2,6-trimethylpiperazine-1-carboxamide (CID 129258257) is 4-(4-tert-butylphenyl)-N,2,6-trimethylpiperazine-1-carboxamide.
What is the SMILES notation for 4-(4-tert-butylphenyl)-N,2,6-trimethylpiperazine-1-carboxamide?
The canonical SMILES for 4-(4-tert-butylphenyl)-N,2,6-trimethylpiperazine-1-carboxamide is CNC(=O)N1C(C)CN(c2ccc(C(C)(C)C)cc2)CC1C.
What is the InChIKey of 4-(4-tert-butylphenyl)-N,2,6-trimethylpiperazine-1-carboxamide?
The InChIKey is PJUYTADUPJYAQP-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H29N3O/c1-13-11-20(12-14(2)21(13)17(22)19-6)16-9-7-15(8-10-16)18(3,4)5/h7-10,13-14H,11-12H2,1-6H3,(H,19,22).
What are the key properties of 4-(4-tert-butylphenyl)-N,2,6-trimethylpiperazine-1-carboxamide?
4-(4-tert-butylphenyl)-N,2,6-trimethylpiperazine-1-carboxamide has a molecular weight of 303.45 g/mol, XLogP of 3.22, 1 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(4-tert-butylphenyl)-N,2,6-trimethylpiperazine-1-carboxamide is sourced from PubChem (CID 129258257), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).