1-tert-butyl-N-methylpiperidine-3-carboxamide

C11H22N2O — CID 165376853

IUPAC1-tert-butyl-N-methylpiperidine-3-carboxamide
SMILESCNC(=O)C1CCCN(C(C)(C)C)C1
InChIInChI=1S/C11H22N2O/c1-11(2,3)13-7-5-6-9(8-13)10(14)12-4/h9H,5-8H2,1-4H3,(H,12,14)
InChIKeyQHDLDKFIUMCBSA-UHFFFAOYSA-N
MW198.31 g/mol
LogP1.24
Rot. Bonds1

About 1-tert-butyl-N-methylpiperidine-3-carboxamide

1-tert-butyl-N-methylpiperidine-3-carboxamide (PubChem CID 165376853) has the molecular formula C11H22N2O and a molecular weight of 198.31 g/mol. Its IUPAC name is 1-tert-butyl-N-methylpiperidine-3-carboxamide.

Molecular Properties

Compound Name1-tert-butyl-N-methylpiperidine-3-carboxamide
PubChem CID165376853
Molecular FormulaC11H22N2O
Molecular Weight198.31 g/mol
Exact Mass198.17
IUPAC Name1-tert-butyl-N-methylpiperidine-3-carboxamide
SMILESCNC(=O)C1CCCN(C(C)(C)C)C1
InChIInChI=1S/C11H22N2O/c1-11(2,3)13-7-5-6-9(8-13)10(14)12-4/h9H,5-8H2,1-4H3,(H,12,14)
InChIKeyQHDLDKFIUMCBSA-UHFFFAOYSA-N
XLogP1.24
TPSA32.34 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500198.31
LogP ≤ 51.24
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

(3R)-1-tert-butyl-N-methylpyrrolidine-3-carboxamide
CID 129035159
1-tert-butylpiperidine-3-carboxamide
CID 59656300
1-(2,2-dimethylpropanoyl)-N-methylpiperidine-3-carboxamide
CID 47406835
1-tert-butyl-N,N-dimethylpiperidine-3-carboxamide
CID 58877729
1-tert-butyl-N-cyclopentylpyrrolidine-3-carboxamide
CID 67293974
N-methyl-1-[2-[(2-methylpropan-2-yl)oxy]acetyl]piperidine-3-carboxamide
CID 103944365
N-methyl-1-sulfamoylpiperidine-3-carboxamide
CID 103657393
1-[2-(tert-butylamino)acetyl]-N-methylpiperidine-3-carboxamide
CID 113234306
1-[5-[(1-tert-butylpyrrolidin-3-yl)amino]-5-hydroxy-2-methylpentan-2-yl]-N-methylpyrrolidine-3-carboxamide
CID 139573947
1-(4-hydroxycyclohexyl)-N-methylpiperidine-3-carboxamide
CID 103198801
1-(5-cyano-5-methylhexyl)-N-methylpiperidine-3-carboxamide
CID 106710159
tert-butyl 3-[3-(methylcarbamoyl)piperidine-1-carbonyl]piperidine-1-carboxylate
CID 20614161

Frequently Asked Questions

What is the IUPAC name of 1-tert-butyl-N-methylpiperidine-3-carboxamide?
The IUPAC name of 1-tert-butyl-N-methylpiperidine-3-carboxamide (CID 165376853) is 1-tert-butyl-N-methylpiperidine-3-carboxamide.
What is the SMILES notation for 1-tert-butyl-N-methylpiperidine-3-carboxamide?
The canonical SMILES for 1-tert-butyl-N-methylpiperidine-3-carboxamide is CNC(=O)C1CCCN(C(C)(C)C)C1.
What is the InChIKey of 1-tert-butyl-N-methylpiperidine-3-carboxamide?
The InChIKey is QHDLDKFIUMCBSA-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H22N2O/c1-11(2,3)13-7-5-6-9(8-13)10(14)12-4/h9H,5-8H2,1-4H3,(H,12,14).
What are the key properties of 1-tert-butyl-N-methylpiperidine-3-carboxamide?
1-tert-butyl-N-methylpiperidine-3-carboxamide has a molecular weight of 198.31 g/mol, XLogP of 1.24, 1 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-tert-butyl-N-methylpiperidine-3-carboxamide is sourced from PubChem (CID 165376853), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).