4-tert-butyl-3-(2-propan-2-ylphenyl)piperidine-1-carboxamide

C19H30N2O — CID 168761292

IUPAC4-tert-butyl-3-(2-propan-2-ylphenyl)piperidine-1-carboxamide
SMILESCC(C)c1ccccc1C1CN(C(N)=O)CCC1C(C)(C)C
InChIInChI=1S/C19H30N2O/c1-13(2)14-8-6-7-9-15(14)16-12-21(18(20)22)11-10-17(16)19(3,4)5/h6-9,13,16-17H,10-12H2,1-5H3,(H2,20,22)
InChIKeyRYEJNEISIYHQTB-UHFFFAOYSA-N
MW302.46 g/mol
LogP4.34
Rot. Bonds2

About 4-tert-butyl-3-(2-propan-2-ylphenyl)piperidine-1-carboxamide

4-tert-butyl-3-(2-propan-2-ylphenyl)piperidine-1-carboxamide (PubChem CID 168761292) has the molecular formula C19H30N2O and a molecular weight of 302.46 g/mol. Its IUPAC name is 4-tert-butyl-3-(2-propan-2-ylphenyl)piperidine-1-carboxamide.

Molecular Properties

Compound Name4-tert-butyl-3-(2-propan-2-ylphenyl)piperidine-1-carboxamide
PubChem CID168761292
Molecular FormulaC19H30N2O
Molecular Weight302.46 g/mol
Exact Mass302.24
IUPAC Name4-tert-butyl-3-(2-propan-2-ylphenyl)piperidine-1-carboxamide
SMILESCC(C)c1ccccc1C1CN(C(N)=O)CCC1C(C)(C)C
InChIInChI=1S/C19H30N2O/c1-13(2)14-8-6-7-9-15(14)16-12-21(18(20)22)11-10-17(16)19(3,4)5/h6-9,13,16-17H,10-12H2,1-5H3,(H2,20,22)
InChIKeyRYEJNEISIYHQTB-UHFFFAOYSA-N
XLogP4.34
TPSA46.33 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds2
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500302.46
LogP ≤ 54.34
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

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Frequently Asked Questions

What is the IUPAC name of 4-tert-butyl-3-(2-propan-2-ylphenyl)piperidine-1-carboxamide?
The IUPAC name of 4-tert-butyl-3-(2-propan-2-ylphenyl)piperidine-1-carboxamide (CID 168761292) is 4-tert-butyl-3-(2-propan-2-ylphenyl)piperidine-1-carboxamide.
What is the SMILES notation for 4-tert-butyl-3-(2-propan-2-ylphenyl)piperidine-1-carboxamide?
The canonical SMILES for 4-tert-butyl-3-(2-propan-2-ylphenyl)piperidine-1-carboxamide is CC(C)c1ccccc1C1CN(C(N)=O)CCC1C(C)(C)C.
What is the InChIKey of 4-tert-butyl-3-(2-propan-2-ylphenyl)piperidine-1-carboxamide?
The InChIKey is RYEJNEISIYHQTB-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H30N2O/c1-13(2)14-8-6-7-9-15(14)16-12-21(18(20)22)11-10-17(16)19(3,4)5/h6-9,13,16-17H,10-12H2,1-5H3,(H2,20,22).
What are the key properties of 4-tert-butyl-3-(2-propan-2-ylphenyl)piperidine-1-carboxamide?
4-tert-butyl-3-(2-propan-2-ylphenyl)piperidine-1-carboxamide has a molecular weight of 302.46 g/mol, XLogP of 4.34, 2 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 4-tert-butyl-3-(2-propan-2-ylphenyl)piperidine-1-carboxamide is sourced from PubChem (CID 168761292), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).