N-[2-(1,2,3,6-tetrahydropyridin-4-yl)ethyl]cyclopentanecarboxamide

C13H22N2O — CID 107487262

IUPACN-[2-(1,2,3,6-tetrahydropyridin-4-yl)ethyl]cyclopentanecarboxamide
SMILESO=C(NCCC1=CCNCC1)C1CCCC1
InChIInChI=1S/C13H22N2O/c16-13(12-3-1-2-4-12)15-10-7-11-5-8-14-9-6-11/h5,12,14H,1-4,6-10H2,(H,15,16)
InChIKeyZJQQAIADQPDILZ-UHFFFAOYSA-N
MW222.33 g/mol
LogP1.60
Rot. Bonds4

About N-[2-(1,2,3,6-tetrahydropyridin-4-yl)ethyl]cyclopentanecarboxamide

N-[2-(1,2,3,6-tetrahydropyridin-4-yl)ethyl]cyclopentanecarboxamide (PubChem CID 107487262) has the molecular formula C13H22N2O and a molecular weight of 222.33 g/mol. Its IUPAC name is N-[2-(1,2,3,6-tetrahydropyridin-4-yl)ethyl]cyclopentanecarboxamide.

Molecular Properties

Compound NameN-[2-(1,2,3,6-tetrahydropyridin-4-yl)ethyl]cyclopentanecarboxamide
PubChem CID107487262
Molecular FormulaC13H22N2O
Molecular Weight222.33 g/mol
Exact Mass222.17
IUPAC NameN-[2-(1,2,3,6-tetrahydropyridin-4-yl)ethyl]cyclopentanecarboxamide
SMILESO=C(NCCC1=CCNCC1)C1CCCC1
InChIInChI=1S/C13H22N2O/c16-13(12-3-1-2-4-12)15-10-7-11-5-8-14-9-6-11/h5,12,14H,1-4,6-10H2,(H,15,16)
InChIKeyZJQQAIADQPDILZ-UHFFFAOYSA-N
XLogP1.60
TPSA41.13 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500222.33
LogP ≤ 51.60
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Related Compounds

N-[2-(1,2,3,6-tetrahydropyridin-4-yl)ethyl]bicyclo[3.1.0]hexane-6-carboxamide
CID 107487064
N-[2-(1,2,3,6-tetrahydropyridin-4-yl)ethyl]oxolane-2-carboxamide
CID 107487378
N-[2-(1,2,3,6-tetrahydropyridin-4-yl)ethyl]acetamide
CID 107486741
N-[2-(1,2,3,6-tetrahydropyridin-4-yl)ethyl]-1,4-dioxane-2-carboxamide
CID 107487404
N-[2-(1,2,3,6-tetrahydropyridin-4-yl)ethyl]cycloheptanamine
CID 107489886
(E)-N-[2-(1,2,3,6-tetrahydropyridin-4-yl)ethyl]but-2-enamide
CID 107486630
4-N-cycloheptyl-1-N-[2-(cyclohexen-1-yl)ethyl]cyclohexane-1,4-dicarboxamide
CID 109146382
1-N-[2-(cyclohexen-1-yl)ethyl]-4-N-cyclohexylcyclohexane-1,4-dicarboxamide
CID 109146079
N-[2-(cyclohexen-1-yl)ethyl]thiane-4-carboxamide
CID 110849147
2,6-dihydroxy-N-[2-(1,2,3,6-tetrahydropyridin-4-yl)ethyl]benzamide
CID 107690529
4-methyl-N-[2-(1,2,3,6-tetrahydropyridin-4-yl)ethyl]pentanamide
CID 107487391
1-(cyclobutanecarbonyl)-N-[2-(cyclohexen-1-yl)ethyl]piperidine-4-carboxamide
CID 113003190

Frequently Asked Questions

What is the IUPAC name of N-[2-(1,2,3,6-tetrahydropyridin-4-yl)ethyl]cyclopentanecarboxamide?
The IUPAC name of N-[2-(1,2,3,6-tetrahydropyridin-4-yl)ethyl]cyclopentanecarboxamide (CID 107487262) is N-[2-(1,2,3,6-tetrahydropyridin-4-yl)ethyl]cyclopentanecarboxamide.
What is the SMILES notation for N-[2-(1,2,3,6-tetrahydropyridin-4-yl)ethyl]cyclopentanecarboxamide?
The canonical SMILES for N-[2-(1,2,3,6-tetrahydropyridin-4-yl)ethyl]cyclopentanecarboxamide is O=C(NCCC1=CCNCC1)C1CCCC1.
What is the InChIKey of N-[2-(1,2,3,6-tetrahydropyridin-4-yl)ethyl]cyclopentanecarboxamide?
The InChIKey is ZJQQAIADQPDILZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H22N2O/c16-13(12-3-1-2-4-12)15-10-7-11-5-8-14-9-6-11/h5,12,14H,1-4,6-10H2,(H,15,16).
What are the key properties of N-[2-(1,2,3,6-tetrahydropyridin-4-yl)ethyl]cyclopentanecarboxamide?
N-[2-(1,2,3,6-tetrahydropyridin-4-yl)ethyl]cyclopentanecarboxamide has a molecular weight of 222.33 g/mol, XLogP of 1.60, 4 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-(1,2,3,6-tetrahydropyridin-4-yl)ethyl]cyclopentanecarboxamide is sourced from PubChem (CID 107487262), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).