N-ethyl-N-piperidin-4-ylbicyclo[2.2.1]hept-5-ene-2-carboxamide

C15H24N2O — CID 54923298

IUPACN-ethyl-N-piperidin-4-ylbicyclo[2.2.1]hept-5-ene-2-carboxamide
SMILESCCN(C(=O)C1CC2C=CC1C2)C1CCNCC1
InChIInChI=1S/C15H24N2O/c1-2-17(13-5-7-16-8-6-13)15(18)14-10-11-3-4-12(14)9-11/h3-4,11-14,16H,2,5-10H2,1H3
InChIKeyKJQVYRWCFNYXKA-UHFFFAOYSA-N
MW248.37 g/mol
LogP1.80
Rot. Bonds3

About N-ethyl-N-piperidin-4-ylbicyclo[2.2.1]hept-5-ene-2-carboxamide

N-ethyl-N-piperidin-4-ylbicyclo[2.2.1]hept-5-ene-2-carboxamide (PubChem CID 54923298) has the molecular formula C15H24N2O and a molecular weight of 248.37 g/mol. Its IUPAC name is N-ethyl-N-piperidin-4-ylbicyclo[2.2.1]hept-5-ene-2-carboxamide.

Molecular Properties

Compound NameN-ethyl-N-piperidin-4-ylbicyclo[2.2.1]hept-5-ene-2-carboxamide
PubChem CID54923298
Molecular FormulaC15H24N2O
Molecular Weight248.37 g/mol
Exact Mass248.19
IUPAC NameN-ethyl-N-piperidin-4-ylbicyclo[2.2.1]hept-5-ene-2-carboxamide
SMILESCCN(C(=O)C1CC2C=CC1C2)C1CCNCC1
InChIInChI=1S/C15H24N2O/c1-2-17(13-5-7-16-8-6-13)15(18)14-10-11-3-4-12(14)9-11/h3-4,11-14,16H,2,5-10H2,1H3
InChIKeyKJQVYRWCFNYXKA-UHFFFAOYSA-N
XLogP1.80
TPSA32.34 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500248.37
LogP ≤ 51.80
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Related Compounds

N-cyclopropyl-N-(piperidin-3-ylmethyl)bicyclo[2.2.1]hept-5-ene-2-carboxamide
CID 106628760
2-[ethyl(piperidin-4-yl)carbamoyl]cyclopentane-1-carboxylic acid
CID 113361053
N-ethyl-N-(piperidin-3-ylmethyl)bicyclo[2.2.1]hept-5-ene-2-carboxamide
CID 106629590
(1R,2R,4S)-N-[(3R)-1,1-dioxothiolan-3-yl]-N-propylbicyclo[2.2.1]hept-5-ene-2-carboxamide
CID 98426468
N-cyclopropyl-N-ethylpiperidine-4-carboxamide
CID 43264267
N,N-bis(prop-2-enyl)bicyclo[2.2.1]hept-5-ene-2-carboxamide
CID 15204421
2-[bicyclo[2.2.1]hept-5-ene-2-carbonyl-(1,1-dioxothiolan-3-yl)amino]acetic acid
CID 60846071
2-methyl-N-piperidin-4-yl-N-propylcyclopropane-1-carboxamide
CID 60806583
N-cyclopentyl-N-ethylpiperidine-4-carboxamide;hydrochloride
CID 119288620
2-[carboxymethyl-[ethyl(piperidin-4-yl)carbamoyl]amino]acetic acid
CID 63646801
methyl 3-[bicyclo[2.2.1]hept-5-ene-2-carbonyl(ethyl)amino]propanoate
CID 54898736
N-ethyl-2-methyl-N-pyrrolidin-3-ylcyclopentane-1-carboxamide
CID 107176120

Frequently Asked Questions

What is the IUPAC name of N-ethyl-N-piperidin-4-ylbicyclo[2.2.1]hept-5-ene-2-carboxamide?
The IUPAC name of N-ethyl-N-piperidin-4-ylbicyclo[2.2.1]hept-5-ene-2-carboxamide (CID 54923298) is N-ethyl-N-piperidin-4-ylbicyclo[2.2.1]hept-5-ene-2-carboxamide.
What is the SMILES notation for N-ethyl-N-piperidin-4-ylbicyclo[2.2.1]hept-5-ene-2-carboxamide?
The canonical SMILES for N-ethyl-N-piperidin-4-ylbicyclo[2.2.1]hept-5-ene-2-carboxamide is CCN(C(=O)C1CC2C=CC1C2)C1CCNCC1.
What is the InChIKey of N-ethyl-N-piperidin-4-ylbicyclo[2.2.1]hept-5-ene-2-carboxamide?
The InChIKey is KJQVYRWCFNYXKA-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H24N2O/c1-2-17(13-5-7-16-8-6-13)15(18)14-10-11-3-4-12(14)9-11/h3-4,11-14,16H,2,5-10H2,1H3.
What are the key properties of N-ethyl-N-piperidin-4-ylbicyclo[2.2.1]hept-5-ene-2-carboxamide?
N-ethyl-N-piperidin-4-ylbicyclo[2.2.1]hept-5-ene-2-carboxamide has a molecular weight of 248.37 g/mol, XLogP of 1.80, 3 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-ethyl-N-piperidin-4-ylbicyclo[2.2.1]hept-5-ene-2-carboxamide is sourced from PubChem (CID 54923298), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).