ethyl 1-(3-cyano-4,6-dimethyl-2-pyridinyl)piperidine-4-carboxylate

C16H21N3O2 — CID 1474731

IUPACethyl 1-(3-cyano-4,6-dimethyl-2-pyridinyl)piperidine-4-carboxylate
SMILESCCOC(=O)C1CCN(c2nc(C)cc(C)c2C#N)CC1
InChIInChI=1S/C16H21N3O2/c1-4-21-16(20)13-5-7-19(8-6-13)15-14(10-17)11(2)9-12(3)18-15/h9,13H,4-8H2,1-3H3
InChIKeyCFPZRPVUKOXUQZ-UHFFFAOYSA-N
MW287.36 g/mol
LogP2.35
Rot. Bonds3

About ethyl 1-(3-cyano-4,6-dimethyl-2-pyridinyl)piperidine-4-carboxylate

ethyl 1-(3-cyano-4,6-dimethyl-2-pyridinyl)piperidine-4-carboxylate (PubChem CID 1474731) has the molecular formula C16H21N3O2 and a molecular weight of 287.36 g/mol. Its IUPAC name is ethyl 1-(3-cyano-4,6-dimethyl-2-pyridinyl)piperidine-4-carboxylate.

Molecular Properties

Compound Nameethyl 1-(3-cyano-4,6-dimethyl-2-pyridinyl)piperidine-4-carboxylate
PubChem CID1474731
Molecular FormulaC16H21N3O2
Molecular Weight287.36 g/mol
Exact Mass287.16
IUPAC Nameethyl 1-(3-cyano-4,6-dimethyl-2-pyridinyl)piperidine-4-carboxylate
SMILESCCOC(=O)C1CCN(c2nc(C)cc(C)c2C#N)CC1
InChIInChI=1S/C16H21N3O2/c1-4-21-16(20)13-5-7-19(8-6-13)15-14(10-17)11(2)9-12(3)18-15/h9,13H,4-8H2,1-3H3
InChIKeyCFPZRPVUKOXUQZ-UHFFFAOYSA-N
XLogP2.35
TPSA66.22 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500287.36
LogP ≤ 52.35
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of ethyl 1-(3-cyano-4,6-dimethyl-2-pyridinyl)piperidine-4-carboxylate?
The IUPAC name of ethyl 1-(3-cyano-4,6-dimethyl-2-pyridinyl)piperidine-4-carboxylate (CID 1474731) is ethyl 1-(3-cyano-4,6-dimethyl-2-pyridinyl)piperidine-4-carboxylate.
What is the SMILES notation for ethyl 1-(3-cyano-4,6-dimethyl-2-pyridinyl)piperidine-4-carboxylate?
The canonical SMILES for ethyl 1-(3-cyano-4,6-dimethyl-2-pyridinyl)piperidine-4-carboxylate is CCOC(=O)C1CCN(c2nc(C)cc(C)c2C#N)CC1.
What is the InChIKey of ethyl 1-(3-cyano-4,6-dimethyl-2-pyridinyl)piperidine-4-carboxylate?
The InChIKey is CFPZRPVUKOXUQZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H21N3O2/c1-4-21-16(20)13-5-7-19(8-6-13)15-14(10-17)11(2)9-12(3)18-15/h9,13H,4-8H2,1-3H3.
What are the key properties of ethyl 1-(3-cyano-4,6-dimethyl-2-pyridinyl)piperidine-4-carboxylate?
ethyl 1-(3-cyano-4,6-dimethyl-2-pyridinyl)piperidine-4-carboxylate has a molecular weight of 287.36 g/mol, XLogP of 2.35, 3 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for ethyl 1-(3-cyano-4,6-dimethyl-2-pyridinyl)piperidine-4-carboxylate is sourced from PubChem (CID 1474731), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).