ethyl 4-(4-cyano-6-methyl-2-pyridinyl)piperazine-1-carboxylate

C14H18N4O2 — CID 107876946

IUPACethyl 4-(4-cyano-6-methyl-2-pyridinyl)piperazine-1-carboxylate
SMILESCCOC(=O)N1CCN(c2cc(C#N)cc(C)n2)CC1
InChIInChI=1S/C14H18N4O2/c1-3-20-14(19)18-6-4-17(5-7-18)13-9-12(10-15)8-11(2)16-13/h8-9H,3-7H2,1-2H3
InChIKeyWXIGVPNKORWADA-UHFFFAOYSA-N
MW274.32 g/mol
LogP1.54
Rot. Bonds2

About ethyl 4-(4-cyano-6-methyl-2-pyridinyl)piperazine-1-carboxylate

ethyl 4-(4-cyano-6-methyl-2-pyridinyl)piperazine-1-carboxylate (PubChem CID 107876946) has the molecular formula C14H18N4O2 and a molecular weight of 274.32 g/mol. Its IUPAC name is ethyl 4-(4-cyano-6-methyl-2-pyridinyl)piperazine-1-carboxylate.

Molecular Properties

Compound Nameethyl 4-(4-cyano-6-methyl-2-pyridinyl)piperazine-1-carboxylate
PubChem CID107876946
Molecular FormulaC14H18N4O2
Molecular Weight274.32 g/mol
Exact Mass274.14
IUPAC Nameethyl 4-(4-cyano-6-methyl-2-pyridinyl)piperazine-1-carboxylate
SMILESCCOC(=O)N1CCN(c2cc(C#N)cc(C)n2)CC1
InChIInChI=1S/C14H18N4O2/c1-3-20-14(19)18-6-4-17(5-7-18)13-9-12(10-15)8-11(2)16-13/h8-9H,3-7H2,1-2H3
InChIKeyWXIGVPNKORWADA-UHFFFAOYSA-N
XLogP1.54
TPSA69.46 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds2
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500274.32
LogP ≤ 51.54
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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Related Compounds

ethyl 4-(2-chloro-6-methylpyrimidin-4-yl)piperazine-1-carboxylate
CID 107877548
ethyl 4-(4-cyano-2,6-difluorophenyl)piperazine-1-carboxylate
CID 60602596
ethyl 4-[6-(4-ethylpiperazin-1-yl)-2-methylpyrimidin-4-yl]piperazine-1-carboxylate
CID 112870858
ethyl 4-[2-(diethylamino)-6-methylpyrimidin-4-yl]piperazine-1-carboxylate
CID 112923272
ethyl 4-(3-bromo-5-cyano-2-pyridinyl)piperazine-1-carboxylate
CID 84611937
2-(4-butan-2-ylpiperazin-1-yl)-6-methylpyridine-4-carbonitrile
CID 114766208
2-[1-(4-cyano-6-methyl-2-pyridinyl)piperidin-4-yl]oxyacetic acid
CID 114765410
N-[1-(4-cyano-6-methyl-2-pyridinyl)piperidin-4-yl]acetamide
CID 114766577
ethyl 4-(2-amino-6-chloropyrimidin-4-yl)piperazine-1-carboxylate
CID 1481937
ethyl 4-(4-cyano-2-fluorophenyl)piperazine-1-carboxylate
CID 6486814
ethyl 4-[3-(4-cyanoanilino)-1,2,4-triazin-5-yl]piperazine-1-carboxylate
CID 112957087
ethyl 4-[2-methyl-6-(pentylamino)pyrimidin-4-yl]piperazine-1-carboxylate
CID 112875252

Frequently Asked Questions

What is the IUPAC name of ethyl 4-(4-cyano-6-methyl-2-pyridinyl)piperazine-1-carboxylate?
The IUPAC name of ethyl 4-(4-cyano-6-methyl-2-pyridinyl)piperazine-1-carboxylate (CID 107876946) is ethyl 4-(4-cyano-6-methyl-2-pyridinyl)piperazine-1-carboxylate.
What is the SMILES notation for ethyl 4-(4-cyano-6-methyl-2-pyridinyl)piperazine-1-carboxylate?
The canonical SMILES for ethyl 4-(4-cyano-6-methyl-2-pyridinyl)piperazine-1-carboxylate is CCOC(=O)N1CCN(c2cc(C#N)cc(C)n2)CC1.
What is the InChIKey of ethyl 4-(4-cyano-6-methyl-2-pyridinyl)piperazine-1-carboxylate?
The InChIKey is WXIGVPNKORWADA-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H18N4O2/c1-3-20-14(19)18-6-4-17(5-7-18)13-9-12(10-15)8-11(2)16-13/h8-9H,3-7H2,1-2H3.
What are the key properties of ethyl 4-(4-cyano-6-methyl-2-pyridinyl)piperazine-1-carboxylate?
ethyl 4-(4-cyano-6-methyl-2-pyridinyl)piperazine-1-carboxylate has a molecular weight of 274.32 g/mol, XLogP of 1.54, 2 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for ethyl 4-(4-cyano-6-methyl-2-pyridinyl)piperazine-1-carboxylate is sourced from PubChem (CID 107876946), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).