1-(4-ethoxypiperidine-1-carbonyl)cyclopropane-1-carbonitrile

C12H18N2O2 — CID 80599226

IUPAC1-(4-ethoxypiperidine-1-carbonyl)cyclopropane-1-carbonitrile
SMILESCCOC1CCN(C(=O)C2(C#N)CC2)CC1
InChIInChI=1S/C12H18N2O2/c1-2-16-10-3-7-14(8-4-10)11(15)12(9-13)5-6-12/h10H,2-8H2,1H3
InChIKeyYVNLFYKGULOBAX-UHFFFAOYSA-N
MW222.29 g/mol
LogP1.32
Rot. Bonds3

About 1-(4-ethoxypiperidine-1-carbonyl)cyclopropane-1-carbonitrile

1-(4-ethoxypiperidine-1-carbonyl)cyclopropane-1-carbonitrile (PubChem CID 80599226) has the molecular formula C12H18N2O2 and a molecular weight of 222.29 g/mol. Its IUPAC name is 1-(4-ethoxypiperidine-1-carbonyl)cyclopropane-1-carbonitrile.

Molecular Properties

Compound Name1-(4-ethoxypiperidine-1-carbonyl)cyclopropane-1-carbonitrile
PubChem CID80599226
Molecular FormulaC12H18N2O2
Molecular Weight222.29 g/mol
Exact Mass222.14
IUPAC Name1-(4-ethoxypiperidine-1-carbonyl)cyclopropane-1-carbonitrile
SMILESCCOC1CCN(C(=O)C2(C#N)CC2)CC1
InChIInChI=1S/C12H18N2O2/c1-2-16-10-3-7-14(8-4-10)11(15)12(9-13)5-6-12/h10H,2-8H2,1H3
InChIKeyYVNLFYKGULOBAX-UHFFFAOYSA-N
XLogP1.32
TPSA53.33 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500222.29
LogP ≤ 51.32
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 1-(4-ethoxypiperidine-1-carbonyl)cyclopropane-1-carbonitrile?
The IUPAC name of 1-(4-ethoxypiperidine-1-carbonyl)cyclopropane-1-carbonitrile (CID 80599226) is 1-(4-ethoxypiperidine-1-carbonyl)cyclopropane-1-carbonitrile.
What is the SMILES notation for 1-(4-ethoxypiperidine-1-carbonyl)cyclopropane-1-carbonitrile?
The canonical SMILES for 1-(4-ethoxypiperidine-1-carbonyl)cyclopropane-1-carbonitrile is CCOC1CCN(C(=O)C2(C#N)CC2)CC1.
What is the InChIKey of 1-(4-ethoxypiperidine-1-carbonyl)cyclopropane-1-carbonitrile?
The InChIKey is YVNLFYKGULOBAX-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H18N2O2/c1-2-16-10-3-7-14(8-4-10)11(15)12(9-13)5-6-12/h10H,2-8H2,1H3.
What are the key properties of 1-(4-ethoxypiperidine-1-carbonyl)cyclopropane-1-carbonitrile?
1-(4-ethoxypiperidine-1-carbonyl)cyclopropane-1-carbonitrile has a molecular weight of 222.29 g/mol, XLogP of 1.32, 3 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(4-ethoxypiperidine-1-carbonyl)cyclopropane-1-carbonitrile is sourced from PubChem (CID 80599226), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).