N-(2-methylbutan-2-yl)piperidine-3-carboxamide

C11H22N2O — CID 18073020

IUPACN-(2-methylbutan-2-yl)piperidine-3-carboxamide
SMILESCCC(C)(C)NC(=O)C1CCCNC1
InChIInChI=1S/C11H22N2O/c1-4-11(2,3)13-10(14)9-6-5-7-12-8-9/h9,12H,4-8H2,1-3H3,(H,13,14)
InChIKeyISGXCEWCUGZBMS-UHFFFAOYSA-N
MW198.31 g/mol
LogP1.29
Rot. Bonds3

About N-(2-methylbutan-2-yl)piperidine-3-carboxamide

N-(2-methylbutan-2-yl)piperidine-3-carboxamide (PubChem CID 18073020) has the molecular formula C11H22N2O and a molecular weight of 198.31 g/mol. Its IUPAC name is N-(2-methylbutan-2-yl)piperidine-3-carboxamide.

Molecular Properties

Compound NameN-(2-methylbutan-2-yl)piperidine-3-carboxamide
PubChem CID18073020
Molecular FormulaC11H22N2O
Molecular Weight198.31 g/mol
Exact Mass198.17
IUPAC NameN-(2-methylbutan-2-yl)piperidine-3-carboxamide
SMILESCCC(C)(C)NC(=O)C1CCCNC1
InChIInChI=1S/C11H22N2O/c1-4-11(2,3)13-10(14)9-6-5-7-12-8-9/h9,12H,4-8H2,1-3H3,(H,13,14)
InChIKeyISGXCEWCUGZBMS-UHFFFAOYSA-N
XLogP1.29
TPSA41.13 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500198.31
LogP ≤ 51.29
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of N-(2-methylbutan-2-yl)piperidine-3-carboxamide?
The IUPAC name of N-(2-methylbutan-2-yl)piperidine-3-carboxamide (CID 18073020) is N-(2-methylbutan-2-yl)piperidine-3-carboxamide.
What is the SMILES notation for N-(2-methylbutan-2-yl)piperidine-3-carboxamide?
The canonical SMILES for N-(2-methylbutan-2-yl)piperidine-3-carboxamide is CCC(C)(C)NC(=O)C1CCCNC1.
What is the InChIKey of N-(2-methylbutan-2-yl)piperidine-3-carboxamide?
The InChIKey is ISGXCEWCUGZBMS-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H22N2O/c1-4-11(2,3)13-10(14)9-6-5-7-12-8-9/h9,12H,4-8H2,1-3H3,(H,13,14).
What are the key properties of N-(2-methylbutan-2-yl)piperidine-3-carboxamide?
N-(2-methylbutan-2-yl)piperidine-3-carboxamide has a molecular weight of 198.31 g/mol, XLogP of 1.29, 3 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-(2-methylbutan-2-yl)piperidine-3-carboxamide is sourced from PubChem (CID 18073020), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).