(4-cyanopiperidin-1-yl) cyclopentanecarboxylate

C12H18N2O2 — CID 142779698

IUPAC(4-cyanopiperidin-1-yl) cyclopentanecarboxylate
SMILESN#CC1CCN(OC(=O)C2CCCC2)CC1
InChIInChI=1S/C12H18N2O2/c13-9-10-5-7-14(8-6-10)16-12(15)11-3-1-2-4-11/h10-11H,1-8H2
InChIKeyWICMMJFAJUHOLZ-UHFFFAOYSA-N
MW222.29 g/mol
LogP1.87
Rot. Bonds2

About (4-cyanopiperidin-1-yl) cyclopentanecarboxylate

(4-cyanopiperidin-1-yl) cyclopentanecarboxylate (PubChem CID 142779698) has the molecular formula C12H18N2O2 and a molecular weight of 222.29 g/mol. Its IUPAC name is (4-cyanopiperidin-1-yl) cyclopentanecarboxylate.

Molecular Properties

Compound Name(4-cyanopiperidin-1-yl) cyclopentanecarboxylate
PubChem CID142779698
Molecular FormulaC12H18N2O2
Molecular Weight222.29 g/mol
Exact Mass222.14
IUPAC Name(4-cyanopiperidin-1-yl) cyclopentanecarboxylate
SMILESN#CC1CCN(OC(=O)C2CCCC2)CC1
InChIInChI=1S/C12H18N2O2/c13-9-10-5-7-14(8-6-10)16-12(15)11-3-1-2-4-11/h10-11H,1-8H2
InChIKeyWICMMJFAJUHOLZ-UHFFFAOYSA-N
XLogP1.87
TPSA53.33 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500222.29
LogP ≤ 51.87
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Related Compounds

pyrrolidin-1-yl cyclopropanecarboxylate
CID 154313391
pyrrolidin-1-yl cyclopropanecarboxylate;hydrochloride
CID 174730416
tert-butyl [4-(4-cyanopiperidin-1-yl)piperidin-1-yl] carbonate
CID 69336793
tert-butyl 4-[(4-cyanopiperidin-1-yl)methyl]cyclohexane-1-carboxylate
CID 141128389
1-acetylazepane-4-carbonitrile
CID 143511927
1-(cyclohexanecarbonyl)azetidine-3-carbonitrile
CID 174175540
cyclooctanecarboperoxoic acid
CID 90238548
1-(cyclooctanecarbonyl)piperidine-3-carbonitrile
CID 65018910
4-cyanocyclohexane-1-carbonyl chloride
CID 12653192
1-(cyclohexanecarbonyl)azetidine-3-carbonitrile;ethane
CID 177000428
ethenyl 4-cyanopiperidine-1-carboxylate
CID 14418315
cyclooctanecarbonitrile
CID 13075060

Frequently Asked Questions

What is the IUPAC name of (4-cyanopiperidin-1-yl) cyclopentanecarboxylate?
The IUPAC name of (4-cyanopiperidin-1-yl) cyclopentanecarboxylate (CID 142779698) is (4-cyanopiperidin-1-yl) cyclopentanecarboxylate.
What is the SMILES notation for (4-cyanopiperidin-1-yl) cyclopentanecarboxylate?
The canonical SMILES for (4-cyanopiperidin-1-yl) cyclopentanecarboxylate is N#CC1CCN(OC(=O)C2CCCC2)CC1.
What is the InChIKey of (4-cyanopiperidin-1-yl) cyclopentanecarboxylate?
The InChIKey is WICMMJFAJUHOLZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H18N2O2/c13-9-10-5-7-14(8-6-10)16-12(15)11-3-1-2-4-11/h10-11H,1-8H2.
What are the key properties of (4-cyanopiperidin-1-yl) cyclopentanecarboxylate?
(4-cyanopiperidin-1-yl) cyclopentanecarboxylate has a molecular weight of 222.29 g/mol, XLogP of 1.87, 2 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (4-cyanopiperidin-1-yl) cyclopentanecarboxylate is sourced from PubChem (CID 142779698), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).