N-[2-(1,2,3,6-tetrahydropyridin-4-yl)ethyl]bicyclo[3.1.0]hexane-6-carboxamide

C14H22N2O — CID 107487064

IUPACN-[2-(1,2,3,6-tetrahydropyridin-4-yl)ethyl]bicyclo[3.1.0]hexane-6-carboxamide
SMILESO=C(NCCC1=CCNCC1)C1C2CCCC21
InChIInChI=1S/C14H22N2O/c17-14(13-11-2-1-3-12(11)13)16-9-6-10-4-7-15-8-5-10/h4,11-13,15H,1-3,5-9H2,(H,16,17)
InChIKeyCZDPGAXMGQKLHH-UHFFFAOYSA-N
MW234.34 g/mol
LogP1.46
Rot. Bonds4

About N-[2-(1,2,3,6-tetrahydropyridin-4-yl)ethyl]bicyclo[3.1.0]hexane-6-carboxamide

N-[2-(1,2,3,6-tetrahydropyridin-4-yl)ethyl]bicyclo[3.1.0]hexane-6-carboxamide (PubChem CID 107487064) has the molecular formula C14H22N2O and a molecular weight of 234.34 g/mol. Its IUPAC name is N-[2-(1,2,3,6-tetrahydropyridin-4-yl)ethyl]bicyclo[3.1.0]hexane-6-carboxamide.

Molecular Properties

Compound NameN-[2-(1,2,3,6-tetrahydropyridin-4-yl)ethyl]bicyclo[3.1.0]hexane-6-carboxamide
PubChem CID107487064
Molecular FormulaC14H22N2O
Molecular Weight234.34 g/mol
Exact Mass234.17
IUPAC NameN-[2-(1,2,3,6-tetrahydropyridin-4-yl)ethyl]bicyclo[3.1.0]hexane-6-carboxamide
SMILESO=C(NCCC1=CCNCC1)C1C2CCCC21
InChIInChI=1S/C14H22N2O/c17-14(13-11-2-1-3-12(11)13)16-9-6-10-4-7-15-8-5-10/h4,11-13,15H,1-3,5-9H2,(H,16,17)
InChIKeyCZDPGAXMGQKLHH-UHFFFAOYSA-N
XLogP1.46
TPSA41.13 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500234.34
LogP ≤ 51.46
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]cyclopentanecarboxamide
CID 107487262
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
N-[2-(4-aminophenyl)ethyl]bicyclo[3.1.0]hexane-6-carboxamide
CID 81479001
2,4-dichloro-N-[2-(1,2,3,6-tetrahydropyridin-4-yl)ethyl]benzamide
CID 107487012
(2R)-N-[2-(cyclopenten-1-yl)ethyl]pyrrolidine-2-carboxamide
CID 106175364
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
3,5-dihydroxy-N-[2-(1,2,3,6-tetrahydropyridin-4-yl)ethyl]benzamide
CID 107705356

Frequently Asked Questions

What is the IUPAC name of N-[2-(1,2,3,6-tetrahydropyridin-4-yl)ethyl]bicyclo[3.1.0]hexane-6-carboxamide?
The IUPAC name of N-[2-(1,2,3,6-tetrahydropyridin-4-yl)ethyl]bicyclo[3.1.0]hexane-6-carboxamide (CID 107487064) is N-[2-(1,2,3,6-tetrahydropyridin-4-yl)ethyl]bicyclo[3.1.0]hexane-6-carboxamide.
What is the SMILES notation for N-[2-(1,2,3,6-tetrahydropyridin-4-yl)ethyl]bicyclo[3.1.0]hexane-6-carboxamide?
The canonical SMILES for N-[2-(1,2,3,6-tetrahydropyridin-4-yl)ethyl]bicyclo[3.1.0]hexane-6-carboxamide is O=C(NCCC1=CCNCC1)C1C2CCCC21.
What is the InChIKey of N-[2-(1,2,3,6-tetrahydropyridin-4-yl)ethyl]bicyclo[3.1.0]hexane-6-carboxamide?
The InChIKey is CZDPGAXMGQKLHH-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H22N2O/c17-14(13-11-2-1-3-12(11)13)16-9-6-10-4-7-15-8-5-10/h4,11-13,15H,1-3,5-9H2,(H,16,17).
What are the key properties of N-[2-(1,2,3,6-tetrahydropyridin-4-yl)ethyl]bicyclo[3.1.0]hexane-6-carboxamide?
N-[2-(1,2,3,6-tetrahydropyridin-4-yl)ethyl]bicyclo[3.1.0]hexane-6-carboxamide has a molecular weight of 234.34 g/mol, XLogP of 1.46, 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]bicyclo[3.1.0]hexane-6-carboxamide is sourced from PubChem (CID 107487064), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).