N-(6-methylidene-2-oxopiperidin-3-yl)bicyclo[1.1.1]pentane-1-carboxamide

C12H16N2O2 — CID 170748957

IUPACN-(6-methylidene-2-oxopiperidin-3-yl)bicyclo[1.1.1]pentane-1-carboxamide
SMILESC=C1CCC(NC(=O)C23CC(C2)C3)C(=O)N1
InChIInChI=1S/C12H16N2O2/c1-7-2-3-9(10(15)13-7)14-11(16)12-4-8(5-12)6-12/h8-9H,1-6H2,(H,13,15)(H,14,16)
InChIKeyDIMDXSLGMSZBFV-UHFFFAOYSA-N
MW220.27 g/mol
LogP0.69
Rot. Bonds2

About N-(6-methylidene-2-oxopiperidin-3-yl)bicyclo[1.1.1]pentane-1-carboxamide

N-(6-methylidene-2-oxopiperidin-3-yl)bicyclo[1.1.1]pentane-1-carboxamide (PubChem CID 170748957) has the molecular formula C12H16N2O2 and a molecular weight of 220.27 g/mol. Its IUPAC name is N-(6-methylidene-2-oxopiperidin-3-yl)bicyclo[1.1.1]pentane-1-carboxamide.

Molecular Properties

Compound NameN-(6-methylidene-2-oxopiperidin-3-yl)bicyclo[1.1.1]pentane-1-carboxamide
PubChem CID170748957
Molecular FormulaC12H16N2O2
Molecular Weight220.27 g/mol
Exact Mass220.12
IUPAC NameN-(6-methylidene-2-oxopiperidin-3-yl)bicyclo[1.1.1]pentane-1-carboxamide
SMILESC=C1CCC(NC(=O)C23CC(C2)C3)C(=O)N1
InChIInChI=1S/C12H16N2O2/c1-7-2-3-9(10(15)13-7)14-11(16)12-4-8(5-12)6-12/h8-9H,1-6H2,(H,13,15)(H,14,16)
InChIKeyDIMDXSLGMSZBFV-UHFFFAOYSA-N
XLogP0.69
TPSA58.20 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500220.27
LogP ≤ 50.69
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of N-(6-methylidene-2-oxopiperidin-3-yl)bicyclo[1.1.1]pentane-1-carboxamide?
The IUPAC name of N-(6-methylidene-2-oxopiperidin-3-yl)bicyclo[1.1.1]pentane-1-carboxamide (CID 170748957) is N-(6-methylidene-2-oxopiperidin-3-yl)bicyclo[1.1.1]pentane-1-carboxamide.
What is the SMILES notation for N-(6-methylidene-2-oxopiperidin-3-yl)bicyclo[1.1.1]pentane-1-carboxamide?
The canonical SMILES for N-(6-methylidene-2-oxopiperidin-3-yl)bicyclo[1.1.1]pentane-1-carboxamide is C=C1CCC(NC(=O)C23CC(C2)C3)C(=O)N1.
What is the InChIKey of N-(6-methylidene-2-oxopiperidin-3-yl)bicyclo[1.1.1]pentane-1-carboxamide?
The InChIKey is DIMDXSLGMSZBFV-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H16N2O2/c1-7-2-3-9(10(15)13-7)14-11(16)12-4-8(5-12)6-12/h8-9H,1-6H2,(H,13,15)(H,14,16).
What are the key properties of N-(6-methylidene-2-oxopiperidin-3-yl)bicyclo[1.1.1]pentane-1-carboxamide?
N-(6-methylidene-2-oxopiperidin-3-yl)bicyclo[1.1.1]pentane-1-carboxamide has a molecular weight of 220.27 g/mol, XLogP of 0.69, 2 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-(6-methylidene-2-oxopiperidin-3-yl)bicyclo[1.1.1]pentane-1-carboxamide is sourced from PubChem (CID 170748957), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).