1-cyano-N-(1-methyl-6-oxopiperidin-3-yl)cyclopropane-1-carboxamide

C11H15N3O2 — CID 80592251

IUPAC1-cyano-N-(1-methyl-6-oxopiperidin-3-yl)cyclopropane-1-carboxamide
SMILESCN1CC(NC(=O)C2(C#N)CC2)CCC1=O
InChIInChI=1S/C11H15N3O2/c1-14-6-8(2-3-9(14)15)13-10(16)11(7-12)4-5-11/h8H,2-6H2,1H3,(H,13,16)
InChIKeyQQQQHMFKLICWSE-UHFFFAOYSA-N
MW221.26 g/mol
LogP0.03
Rot. Bonds2

About 1-cyano-N-(1-methyl-6-oxopiperidin-3-yl)cyclopropane-1-carboxamide

1-cyano-N-(1-methyl-6-oxopiperidin-3-yl)cyclopropane-1-carboxamide (PubChem CID 80592251) has the molecular formula C11H15N3O2 and a molecular weight of 221.26 g/mol. Its IUPAC name is 1-cyano-N-(1-methyl-6-oxopiperidin-3-yl)cyclopropane-1-carboxamide.

Molecular Properties

Compound Name1-cyano-N-(1-methyl-6-oxopiperidin-3-yl)cyclopropane-1-carboxamide
PubChem CID80592251
Molecular FormulaC11H15N3O2
Molecular Weight221.26 g/mol
Exact Mass221.12
IUPAC Name1-cyano-N-(1-methyl-6-oxopiperidin-3-yl)cyclopropane-1-carboxamide
SMILESCN1CC(NC(=O)C2(C#N)CC2)CCC1=O
InChIInChI=1S/C11H15N3O2/c1-14-6-8(2-3-9(14)15)13-10(16)11(7-12)4-5-11/h8H,2-6H2,1H3,(H,13,16)
InChIKeyQQQQHMFKLICWSE-UHFFFAOYSA-N
XLogP0.03
TPSA73.20 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500221.26
LogP ≤ 50.03
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 1-cyano-N-(1-methyl-6-oxopiperidin-3-yl)cyclopropane-1-carboxamide?
The IUPAC name of 1-cyano-N-(1-methyl-6-oxopiperidin-3-yl)cyclopropane-1-carboxamide (CID 80592251) is 1-cyano-N-(1-methyl-6-oxopiperidin-3-yl)cyclopropane-1-carboxamide.
What is the SMILES notation for 1-cyano-N-(1-methyl-6-oxopiperidin-3-yl)cyclopropane-1-carboxamide?
The canonical SMILES for 1-cyano-N-(1-methyl-6-oxopiperidin-3-yl)cyclopropane-1-carboxamide is CN1CC(NC(=O)C2(C#N)CC2)CCC1=O.
What is the InChIKey of 1-cyano-N-(1-methyl-6-oxopiperidin-3-yl)cyclopropane-1-carboxamide?
The InChIKey is QQQQHMFKLICWSE-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H15N3O2/c1-14-6-8(2-3-9(14)15)13-10(16)11(7-12)4-5-11/h8H,2-6H2,1H3,(H,13,16).
What are the key properties of 1-cyano-N-(1-methyl-6-oxopiperidin-3-yl)cyclopropane-1-carboxamide?
1-cyano-N-(1-methyl-6-oxopiperidin-3-yl)cyclopropane-1-carboxamide has a molecular weight of 221.26 g/mol, XLogP of 0.03, 2 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-cyano-N-(1-methyl-6-oxopiperidin-3-yl)cyclopropane-1-carboxamide is sourced from PubChem (CID 80592251), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).