tert-butyl 1-(4-cyanopiperidin-1-yl)cyclopentane-1-carboxylate

C16H26N2O2 — CID 68585532

IUPACtert-butyl 1-(4-cyanopiperidin-1-yl)cyclopentane-1-carboxylate
SMILESCC(C)(C)OC(=O)C1(N2CCC(C#N)CC2)CCCC1
InChIInChI=1S/C16H26N2O2/c1-15(2,3)20-14(19)16(8-4-5-9-16)18-10-6-13(12-17)7-11-18/h13H,4-11H2,1-3H3
InChIKeyVQZPCJQOKLEPLW-UHFFFAOYSA-N
MW278.40 g/mol
LogP2.88
Rot. Bonds2

About tert-butyl 1-(4-cyanopiperidin-1-yl)cyclopentane-1-carboxylate

tert-butyl 1-(4-cyanopiperidin-1-yl)cyclopentane-1-carboxylate (PubChem CID 68585532) has the molecular formula C16H26N2O2 and a molecular weight of 278.40 g/mol. Its IUPAC name is tert-butyl 1-(4-cyanopiperidin-1-yl)cyclopentane-1-carboxylate.

Molecular Properties

Compound Nametert-butyl 1-(4-cyanopiperidin-1-yl)cyclopentane-1-carboxylate
PubChem CID68585532
Molecular FormulaC16H26N2O2
Molecular Weight278.40 g/mol
Exact Mass278.20
IUPAC Nametert-butyl 1-(4-cyanopiperidin-1-yl)cyclopentane-1-carboxylate
SMILESCC(C)(C)OC(=O)C1(N2CCC(C#N)CC2)CCCC1
InChIInChI=1S/C16H26N2O2/c1-15(2,3)20-14(19)16(8-4-5-9-16)18-10-6-13(12-17)7-11-18/h13H,4-11H2,1-3H3
InChIKeyVQZPCJQOKLEPLW-UHFFFAOYSA-N
XLogP2.88
TPSA53.33 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500278.40
LogP ≤ 52.88
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Related Compounds

tert-butyl 1-piperidin-1-ylcyclohexane-1-carboxylate
CID 174921229
tert-butyl 1-piperazin-1-ylcyclohexane-1-carboxylate
CID 167739265
tert-butyl 1-(1,4-diazepan-1-yl)cyclobutane-1-carboxylate
CID 167715885
tert-butyl 2-cyano-5-azaspiro[3.4]octane-5-carboxylate
CID 56962171
tert-butyl 1-hydroxycyclopentane-1-carboxylate
CID 86626433
tert-butyl [4-(4-cyanopiperidin-1-yl)piperidin-1-yl] carbonate
CID 69336793
tert-butyl (2R)-4-cyano-2-methylpiperidine-1-carboxylate
CID 155905122
tert-butyl 4-[(4-cyanopiperidin-1-yl)methyl]cyclohexane-1-carboxylate
CID 141128389
1-(2,2-dimethylpropanoyl)piperidine-4-carbonitrile
CID 39239237
tert-butyl 8-cyano-2-azaspiro[4.4]nonane-2-carboxylate
CID 127263616
tert-butyl (2R)-2-cyanopiperidine-1-carboxylate
CID 7019482
methyl 1-morpholin-4-ylcyclopentane-1-carboxylate
CID 67506200

Frequently Asked Questions

What is the IUPAC name of tert-butyl 1-(4-cyanopiperidin-1-yl)cyclopentane-1-carboxylate?
The IUPAC name of tert-butyl 1-(4-cyanopiperidin-1-yl)cyclopentane-1-carboxylate (CID 68585532) is tert-butyl 1-(4-cyanopiperidin-1-yl)cyclopentane-1-carboxylate.
What is the SMILES notation for tert-butyl 1-(4-cyanopiperidin-1-yl)cyclopentane-1-carboxylate?
The canonical SMILES for tert-butyl 1-(4-cyanopiperidin-1-yl)cyclopentane-1-carboxylate is CC(C)(C)OC(=O)C1(N2CCC(C#N)CC2)CCCC1.
What is the InChIKey of tert-butyl 1-(4-cyanopiperidin-1-yl)cyclopentane-1-carboxylate?
The InChIKey is VQZPCJQOKLEPLW-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H26N2O2/c1-15(2,3)20-14(19)16(8-4-5-9-16)18-10-6-13(12-17)7-11-18/h13H,4-11H2,1-3H3.
What are the key properties of tert-butyl 1-(4-cyanopiperidin-1-yl)cyclopentane-1-carboxylate?
tert-butyl 1-(4-cyanopiperidin-1-yl)cyclopentane-1-carboxylate has a molecular weight of 278.40 g/mol, XLogP of 2.88, 2 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for tert-butyl 1-(4-cyanopiperidin-1-yl)cyclopentane-1-carboxylate is sourced from PubChem (CID 68585532), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).