4-tert-butyl-N-(2-methylpiperidin-4-yl)cyclohexane-1-carboxamide

C17H32N2O — CID 106995414

IUPAC4-tert-butyl-N-(2-methylpiperidin-4-yl)cyclohexane-1-carboxamide
SMILESCC1CC(NC(=O)C2CCC(C(C)(C)C)CC2)CCN1
InChIInChI=1S/C17H32N2O/c1-12-11-15(9-10-18-12)19-16(20)13-5-7-14(8-6-13)17(2,3)4/h12-15,18H,5-11H2,1-4H3,(H,19,20)
InChIKeyOSDOQBKMWVMVCG-UHFFFAOYSA-N
MW280.46 g/mol
LogP3.10
Rot. Bonds2

About 4-tert-butyl-N-(2-methylpiperidin-4-yl)cyclohexane-1-carboxamide

4-tert-butyl-N-(2-methylpiperidin-4-yl)cyclohexane-1-carboxamide (PubChem CID 106995414) has the molecular formula C17H32N2O and a molecular weight of 280.46 g/mol. Its IUPAC name is 4-tert-butyl-N-(2-methylpiperidin-4-yl)cyclohexane-1-carboxamide.

Molecular Properties

Compound Name4-tert-butyl-N-(2-methylpiperidin-4-yl)cyclohexane-1-carboxamide
PubChem CID106995414
Molecular FormulaC17H32N2O
Molecular Weight280.46 g/mol
Exact Mass280.25
IUPAC Name4-tert-butyl-N-(2-methylpiperidin-4-yl)cyclohexane-1-carboxamide
SMILESCC1CC(NC(=O)C2CCC(C(C)(C)C)CC2)CCN1
InChIInChI=1S/C17H32N2O/c1-12-11-15(9-10-18-12)19-16(20)13-5-7-14(8-6-13)17(2,3)4/h12-15,18H,5-11H2,1-4H3,(H,19,20)
InChIKeyOSDOQBKMWVMVCG-UHFFFAOYSA-N
XLogP3.10
TPSA41.13 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500280.46
LogP ≤ 53.10
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 4-tert-butyl-N-(2-methylpiperidin-4-yl)cyclohexane-1-carboxamide?
The IUPAC name of 4-tert-butyl-N-(2-methylpiperidin-4-yl)cyclohexane-1-carboxamide (CID 106995414) is 4-tert-butyl-N-(2-methylpiperidin-4-yl)cyclohexane-1-carboxamide.
What is the SMILES notation for 4-tert-butyl-N-(2-methylpiperidin-4-yl)cyclohexane-1-carboxamide?
The canonical SMILES for 4-tert-butyl-N-(2-methylpiperidin-4-yl)cyclohexane-1-carboxamide is CC1CC(NC(=O)C2CCC(C(C)(C)C)CC2)CCN1.
What is the InChIKey of 4-tert-butyl-N-(2-methylpiperidin-4-yl)cyclohexane-1-carboxamide?
The InChIKey is OSDOQBKMWVMVCG-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H32N2O/c1-12-11-15(9-10-18-12)19-16(20)13-5-7-14(8-6-13)17(2,3)4/h12-15,18H,5-11H2,1-4H3,(H,19,20).
What are the key properties of 4-tert-butyl-N-(2-methylpiperidin-4-yl)cyclohexane-1-carboxamide?
4-tert-butyl-N-(2-methylpiperidin-4-yl)cyclohexane-1-carboxamide has a molecular weight of 280.46 g/mol, XLogP of 3.10, 2 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 4-tert-butyl-N-(2-methylpiperidin-4-yl)cyclohexane-1-carboxamide is sourced from PubChem (CID 106995414), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).