N-tert-butyl-1-methylpiperidine-4-carboxamide

C11H22N2O — CID 21305297

IUPACN-tert-butyl-1-methylpiperidine-4-carboxamide
SMILESCN1CCC(C(=O)NC(C)(C)C)CC1
InChIInChI=1S/C11H22N2O/c1-11(2,3)12-10(14)9-5-7-13(4)8-6-9/h9H,5-8H2,1-4H3,(H,12,14)
InChIKeyKHRRKNOHSVFVLE-UHFFFAOYSA-N
MW198.31 g/mol
LogP1.24
Rot. Bonds1

About N-tert-butyl-1-methylpiperidine-4-carboxamide

N-tert-butyl-1-methylpiperidine-4-carboxamide (PubChem CID 21305297) has the molecular formula C11H22N2O and a molecular weight of 198.31 g/mol. Its IUPAC name is N-tert-butyl-1-methylpiperidine-4-carboxamide.

Molecular Properties

Compound NameN-tert-butyl-1-methylpiperidine-4-carboxamide
PubChem CID21305297
Molecular FormulaC11H22N2O
Molecular Weight198.31 g/mol
Exact Mass198.17
IUPAC NameN-tert-butyl-1-methylpiperidine-4-carboxamide
SMILESCN1CCC(C(=O)NC(C)(C)C)CC1
InChIInChI=1S/C11H22N2O/c1-11(2,3)12-10(14)9-5-7-13(4)8-6-9/h9H,5-8H2,1-4H3,(H,12,14)
InChIKeyKHRRKNOHSVFVLE-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

Analyze N-tert-butyl-1-methylpiperidine-4-carboxamide with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of N-tert-butyl-1-methylpiperidine-4-carboxamide?
The IUPAC name of N-tert-butyl-1-methylpiperidine-4-carboxamide (CID 21305297) is N-tert-butyl-1-methylpiperidine-4-carboxamide.
What is the SMILES notation for N-tert-butyl-1-methylpiperidine-4-carboxamide?
The canonical SMILES for N-tert-butyl-1-methylpiperidine-4-carboxamide is CN1CCC(C(=O)NC(C)(C)C)CC1.
What is the InChIKey of N-tert-butyl-1-methylpiperidine-4-carboxamide?
The InChIKey is KHRRKNOHSVFVLE-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H22N2O/c1-11(2,3)12-10(14)9-5-7-13(4)8-6-9/h9H,5-8H2,1-4H3,(H,12,14).
What are the key properties of N-tert-butyl-1-methylpiperidine-4-carboxamide?
N-tert-butyl-1-methylpiperidine-4-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 N-tert-butyl-1-methylpiperidine-4-carboxamide is sourced from PubChem (CID 21305297), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).