[1-(cyanomethyl)piperidin-4-yl]methyl N-cyclopentylcarbamate;hydrochloride

C14H24ClN3O2 — CID 86659135

IUPAC[1-(cyanomethyl)piperidin-4-yl]methyl N-cyclopentylcarbamate;hydrochloride
SMILESCl.N#CCN1CCC(COC(=O)NC2CCCC2)CC1
InChIInChI=1S/C14H23N3O2.ClH/c15-7-10-17-8-5-12(6-9-17)11-19-14(18)16-13-3-1-2-4-13;/h12-13H,1-6,8-11H2,(H,16,18);1H
InChIKeyOMSGRCHIVUZENY-UHFFFAOYSA-N
MW301.82 g/mol
LogP2.31
Rot. Bonds4

About [1-(cyanomethyl)piperidin-4-yl]methyl N-cyclopentylcarbamate;hydrochloride

[1-(cyanomethyl)piperidin-4-yl]methyl N-cyclopentylcarbamate;hydrochloride (PubChem CID 86659135) has the molecular formula C14H24ClN3O2 and a molecular weight of 301.82 g/mol. Its IUPAC name is [1-(cyanomethyl)piperidin-4-yl]methyl N-cyclopentylcarbamate;hydrochloride.

Molecular Properties

Compound Name[1-(cyanomethyl)piperidin-4-yl]methyl N-cyclopentylcarbamate;hydrochloride
PubChem CID86659135
Molecular FormulaC14H24ClN3O2
Molecular Weight301.82 g/mol
Exact Mass301.16
IUPAC Name[1-(cyanomethyl)piperidin-4-yl]methyl N-cyclopentylcarbamate;hydrochloride
SMILESCl.N#CCN1CCC(COC(=O)NC2CCCC2)CC1
InChIInChI=1S/C14H23N3O2.ClH/c15-7-10-17-8-5-12(6-9-17)11-19-14(18)16-13-3-1-2-4-13;/h12-13H,1-6,8-11H2,(H,16,18);1H
InChIKeyOMSGRCHIVUZENY-UHFFFAOYSA-N
XLogP2.31
TPSA65.36 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500301.82
LogP ≤ 52.31
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'cyanamide', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of [1-(cyanomethyl)piperidin-4-yl]methyl N-cyclopentylcarbamate;hydrochloride?
The IUPAC name of [1-(cyanomethyl)piperidin-4-yl]methyl N-cyclopentylcarbamate;hydrochloride (CID 86659135) is [1-(cyanomethyl)piperidin-4-yl]methyl N-cyclopentylcarbamate;hydrochloride.
What is the SMILES notation for [1-(cyanomethyl)piperidin-4-yl]methyl N-cyclopentylcarbamate;hydrochloride?
The canonical SMILES for [1-(cyanomethyl)piperidin-4-yl]methyl N-cyclopentylcarbamate;hydrochloride is Cl.N#CCN1CCC(COC(=O)NC2CCCC2)CC1.
What is the InChIKey of [1-(cyanomethyl)piperidin-4-yl]methyl N-cyclopentylcarbamate;hydrochloride?
The InChIKey is OMSGRCHIVUZENY-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H23N3O2.ClH/c15-7-10-17-8-5-12(6-9-17)11-19-14(18)16-13-3-1-2-4-13;/h12-13H,1-6,8-11H2,(H,16,18);1H.
What are the key properties of [1-(cyanomethyl)piperidin-4-yl]methyl N-cyclopentylcarbamate;hydrochloride?
[1-(cyanomethyl)piperidin-4-yl]methyl N-cyclopentylcarbamate;hydrochloride has a molecular weight of 301.82 g/mol, XLogP of 2.31, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for [1-(cyanomethyl)piperidin-4-yl]methyl N-cyclopentylcarbamate;hydrochloride is sourced from PubChem (CID 86659135), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).