methyl 1-(1-cyanocyclopentanecarbonyl)piperidine-4-carboxylate

C14H20N2O3 — CID 60718203

IUPACmethyl 1-(1-cyanocyclopentanecarbonyl)piperidine-4-carboxylate
SMILESCOC(=O)C1CCN(C(=O)C2(C#N)CCCC2)CC1
InChIInChI=1S/C14H20N2O3/c1-19-12(17)11-4-8-16(9-5-11)13(18)14(10-15)6-2-3-7-14/h11H,2-9H2,1H3
InChIKeyYTOBXEZVGGXJEV-UHFFFAOYSA-N
MW264.32 g/mol
LogP1.48
Rot. Bonds2

About methyl 1-(1-cyanocyclopentanecarbonyl)piperidine-4-carboxylate

methyl 1-(1-cyanocyclopentanecarbonyl)piperidine-4-carboxylate (PubChem CID 60718203) has the molecular formula C14H20N2O3 and a molecular weight of 264.32 g/mol. Its IUPAC name is methyl 1-(1-cyanocyclopentanecarbonyl)piperidine-4-carboxylate.

Molecular Properties

Compound Namemethyl 1-(1-cyanocyclopentanecarbonyl)piperidine-4-carboxylate
PubChem CID60718203
Molecular FormulaC14H20N2O3
Molecular Weight264.32 g/mol
Exact Mass264.15
IUPAC Namemethyl 1-(1-cyanocyclopentanecarbonyl)piperidine-4-carboxylate
SMILESCOC(=O)C1CCN(C(=O)C2(C#N)CCCC2)CC1
InChIInChI=1S/C14H20N2O3/c1-19-12(17)11-4-8-16(9-5-11)13(18)14(10-15)6-2-3-7-14/h11H,2-9H2,1H3
InChIKeyYTOBXEZVGGXJEV-UHFFFAOYSA-N
XLogP1.48
TPSA70.40 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500264.32
LogP ≤ 51.48
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Related Compounds

methyl 1-(1-cyanocycloheptanecarbonyl)piperidine-3-carboxylate
CID 115534455
1-(piperidine-1-carbonyl)cyclopentane-1-carbonitrile
CID 51073773
1-(3-methoxypyrrolidine-1-carbonyl)cyclobutane-1-carbonitrile
CID 103533305
methyl 1-carbonocyanidoylpiperidine-4-carboxylate
CID 177487230
1-(3,4,4a,5,6,7,8,8a-octahydro-1H-isoquinoline-2-carbonyl)cyclopentane-1-carbonitrile
CID 60718273
1-[4-(1-cyanocyclopropanecarbonyl)piperazine-1-carbonyl]cyclopropane-1-carbonitrile
CID 118199294
methyl 1-(4-methylpiperidine-4-carbonyl)piperidine-4-carboxylate
CID 63121313
1-(4-ethoxypiperidine-1-carbonyl)cyclopropane-1-carbonitrile
CID 80599226
methyl N-[1-(1-cyanocyclopropanecarbonyl)pyrrolidin-3-yl]carbamate
CID 113402275
1-[3-(2-hydroxyethyl)pyrrolidine-1-carbonyl]cycloheptane-1-carbonitrile
CID 114797597
1-(9-methyl-3,9-diazabicyclo[4.2.1]nonane-3-carbonyl)cyclohexane-1-carbonitrile
CID 79079811
1-(9-methyl-3,9-diazabicyclo[4.2.1]nonane-3-carbonyl)cyclobutane-1-carbonitrile
CID 79078849

Frequently Asked Questions

What is the IUPAC name of methyl 1-(1-cyanocyclopentanecarbonyl)piperidine-4-carboxylate?
The IUPAC name of methyl 1-(1-cyanocyclopentanecarbonyl)piperidine-4-carboxylate (CID 60718203) is methyl 1-(1-cyanocyclopentanecarbonyl)piperidine-4-carboxylate.
What is the SMILES notation for methyl 1-(1-cyanocyclopentanecarbonyl)piperidine-4-carboxylate?
The canonical SMILES for methyl 1-(1-cyanocyclopentanecarbonyl)piperidine-4-carboxylate is COC(=O)C1CCN(C(=O)C2(C#N)CCCC2)CC1.
What is the InChIKey of methyl 1-(1-cyanocyclopentanecarbonyl)piperidine-4-carboxylate?
The InChIKey is YTOBXEZVGGXJEV-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H20N2O3/c1-19-12(17)11-4-8-16(9-5-11)13(18)14(10-15)6-2-3-7-14/h11H,2-9H2,1H3.
What are the key properties of methyl 1-(1-cyanocyclopentanecarbonyl)piperidine-4-carboxylate?
methyl 1-(1-cyanocyclopentanecarbonyl)piperidine-4-carboxylate has a molecular weight of 264.32 g/mol, XLogP of 1.48, 2 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for methyl 1-(1-cyanocyclopentanecarbonyl)piperidine-4-carboxylate is sourced from PubChem (CID 60718203), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).