methyl 1-(2-cyanopyridine-4-carbonyl)piperidine-4-carboxylate

C14H15N3O3 — CID 112531668

IUPACmethyl 1-(2-cyanopyridine-4-carbonyl)piperidine-4-carboxylate
SMILESCOC(=O)C1CCN(C(=O)c2ccnc(C#N)c2)CC1
InChIInChI=1S/C14H15N3O3/c1-20-14(19)10-3-6-17(7-4-10)13(18)11-2-5-16-12(8-11)9-15/h2,5,8,10H,3-4,6-7H2,1H3
InChIKeyGPJPZJDPFSHGID-UHFFFAOYSA-N
MW273.29 g/mol
LogP0.98
Rot. Bonds2

About methyl 1-(2-cyanopyridine-4-carbonyl)piperidine-4-carboxylate

methyl 1-(2-cyanopyridine-4-carbonyl)piperidine-4-carboxylate (PubChem CID 112531668) has the molecular formula C14H15N3O3 and a molecular weight of 273.29 g/mol. Its IUPAC name is methyl 1-(2-cyanopyridine-4-carbonyl)piperidine-4-carboxylate.

Molecular Properties

Compound Namemethyl 1-(2-cyanopyridine-4-carbonyl)piperidine-4-carboxylate
PubChem CID112531668
Molecular FormulaC14H15N3O3
Molecular Weight273.29 g/mol
Exact Mass273.11
IUPAC Namemethyl 1-(2-cyanopyridine-4-carbonyl)piperidine-4-carboxylate
SMILESCOC(=O)C1CCN(C(=O)c2ccnc(C#N)c2)CC1
InChIInChI=1S/C14H15N3O3/c1-20-14(19)10-3-6-17(7-4-10)13(18)11-2-5-16-12(8-11)9-15/h2,5,8,10H,3-4,6-7H2,1H3
InChIKeyGPJPZJDPFSHGID-UHFFFAOYSA-N
XLogP0.98
TPSA83.29 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds2
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500273.29
LogP ≤ 50.98
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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Related Compounds

methyl 1-(4-amino-3-methylbenzoyl)piperidine-4-carboxylate
CID 61041768
methyl 1-(1,3-benzothiazole-6-carbonyl)piperidine-4-carboxylate
CID 43404805
methyl 1-(1H-indazole-6-carbonyl)piperidine-4-carboxylate
CID 43410335
methyl 1-(6-fluoropyridine-3-carbonyl)piperidine-4-carboxylate
CID 63973141
methyl 1-(2-oxo-1H-pyridine-4-carbonyl)piperidine-4-carboxylate
CID 103762652
4-(1,4-diazepane-1-carbonyl)pyridine-2-carbonitrile
CID 83894257
methyl 1-[3-(2-methylpropoxy)benzoyl]piperidine-4-carboxylate
CID 108731428
methyl 1-(3-amino-4-chlorobenzoyl)piperidine-4-carboxylate
CID 61042064
methyl 1-(4-bromo-3-chlorobenzoyl)piperidine-4-carboxylate
CID 80952645
ethyl 1-(2-cyano-4-pyridinyl)piperidine-4-carboxylate
CID 62492327
methyl 1-(4-phenoxybenzoyl)piperidine-4-carboxylate
CID 26865644
1-(2-methoxypyridine-4-carbonyl)piperidine-4-carboxamide
CID 84580487

Frequently Asked Questions

What is the IUPAC name of methyl 1-(2-cyanopyridine-4-carbonyl)piperidine-4-carboxylate?
The IUPAC name of methyl 1-(2-cyanopyridine-4-carbonyl)piperidine-4-carboxylate (CID 112531668) is methyl 1-(2-cyanopyridine-4-carbonyl)piperidine-4-carboxylate.
What is the SMILES notation for methyl 1-(2-cyanopyridine-4-carbonyl)piperidine-4-carboxylate?
The canonical SMILES for methyl 1-(2-cyanopyridine-4-carbonyl)piperidine-4-carboxylate is COC(=O)C1CCN(C(=O)c2ccnc(C#N)c2)CC1.
What is the InChIKey of methyl 1-(2-cyanopyridine-4-carbonyl)piperidine-4-carboxylate?
The InChIKey is GPJPZJDPFSHGID-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H15N3O3/c1-20-14(19)10-3-6-17(7-4-10)13(18)11-2-5-16-12(8-11)9-15/h2,5,8,10H,3-4,6-7H2,1H3.
What are the key properties of methyl 1-(2-cyanopyridine-4-carbonyl)piperidine-4-carboxylate?
methyl 1-(2-cyanopyridine-4-carbonyl)piperidine-4-carboxylate has a molecular weight of 273.29 g/mol, XLogP of 0.98, 2 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for methyl 1-(2-cyanopyridine-4-carbonyl)piperidine-4-carboxylate is sourced from PubChem (CID 112531668), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).