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

C13H26N2O — CID 115695093

IUPACN-tert-butyl-4-ethyl-4-methylpiperidine-1-carboxamide
SMILESCCC1(C)CCN(C(=O)NC(C)(C)C)CC1
InChIInChI=1S/C13H26N2O/c1-6-13(5)7-9-15(10-8-13)11(16)14-12(2,3)4/h6-10H2,1-5H3,(H,14,16)
InChIKeySRFRJBYFEVQHME-UHFFFAOYSA-N
MW226.36 g/mol
LogP3.01
Rot. Bonds1

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

N-tert-butyl-4-ethyl-4-methylpiperidine-1-carboxamide (PubChem CID 115695093) has the molecular formula C13H26N2O and a molecular weight of 226.36 g/mol. Its IUPAC name is N-tert-butyl-4-ethyl-4-methylpiperidine-1-carboxamide.

Molecular Properties

Compound NameN-tert-butyl-4-ethyl-4-methylpiperidine-1-carboxamide
PubChem CID115695093
Molecular FormulaC13H26N2O
Molecular Weight226.36 g/mol
Exact Mass226.20
IUPAC NameN-tert-butyl-4-ethyl-4-methylpiperidine-1-carboxamide
SMILESCCC1(C)CCN(C(=O)NC(C)(C)C)CC1
InChIInChI=1S/C13H26N2O/c1-6-13(5)7-9-15(10-8-13)11(16)14-12(2,3)4/h6-10H2,1-5H3,(H,14,16)
InChIKeySRFRJBYFEVQHME-UHFFFAOYSA-N
XLogP3.01
TPSA32.34 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds1
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500226.36
LogP ≤ 53.01
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

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Frequently Asked Questions

What is the IUPAC name of N-tert-butyl-4-ethyl-4-methylpiperidine-1-carboxamide?
The IUPAC name of N-tert-butyl-4-ethyl-4-methylpiperidine-1-carboxamide (CID 115695093) is N-tert-butyl-4-ethyl-4-methylpiperidine-1-carboxamide.
What is the SMILES notation for N-tert-butyl-4-ethyl-4-methylpiperidine-1-carboxamide?
The canonical SMILES for N-tert-butyl-4-ethyl-4-methylpiperidine-1-carboxamide is CCC1(C)CCN(C(=O)NC(C)(C)C)CC1.
What is the InChIKey of N-tert-butyl-4-ethyl-4-methylpiperidine-1-carboxamide?
The InChIKey is SRFRJBYFEVQHME-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H26N2O/c1-6-13(5)7-9-15(10-8-13)11(16)14-12(2,3)4/h6-10H2,1-5H3,(H,14,16).
What are the key properties of N-tert-butyl-4-ethyl-4-methylpiperidine-1-carboxamide?
N-tert-butyl-4-ethyl-4-methylpiperidine-1-carboxamide has a molecular weight of 226.36 g/mol, XLogP of 3.01, 1 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for N-tert-butyl-4-ethyl-4-methylpiperidine-1-carboxamide is sourced from PubChem (CID 115695093), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).