N-cyclopropyl-N-(piperidin-3-ylmethyl)bicyclo[2.2.1]hept-5-ene-2-carboxamide

C17H26N2O — CID 106628760

IUPACN-cyclopropyl-N-(piperidin-3-ylmethyl)bicyclo[2.2.1]hept-5-ene-2-carboxamide
SMILESO=C(C1CC2C=CC1C2)N(CC1CCCNC1)C1CC1
InChIInChI=1S/C17H26N2O/c20-17(16-9-12-3-4-14(16)8-12)19(15-5-6-15)11-13-2-1-7-18-10-13/h3-4,12-16,18H,1-2,5-11H2
InChIKeyIJRICMYQVIQTQM-UHFFFAOYSA-N
MW274.41 g/mol
LogP2.19
Rot. Bonds4

About N-cyclopropyl-N-(piperidin-3-ylmethyl)bicyclo[2.2.1]hept-5-ene-2-carboxamide

N-cyclopropyl-N-(piperidin-3-ylmethyl)bicyclo[2.2.1]hept-5-ene-2-carboxamide (PubChem CID 106628760) has the molecular formula C17H26N2O and a molecular weight of 274.41 g/mol. Its IUPAC name is N-cyclopropyl-N-(piperidin-3-ylmethyl)bicyclo[2.2.1]hept-5-ene-2-carboxamide.

Molecular Properties

Compound NameN-cyclopropyl-N-(piperidin-3-ylmethyl)bicyclo[2.2.1]hept-5-ene-2-carboxamide
PubChem CID106628760
Molecular FormulaC17H26N2O
Molecular Weight274.41 g/mol
Exact Mass274.20
IUPAC NameN-cyclopropyl-N-(piperidin-3-ylmethyl)bicyclo[2.2.1]hept-5-ene-2-carboxamide
SMILESO=C(C1CC2C=CC1C2)N(CC1CCCNC1)C1CC1
InChIInChI=1S/C17H26N2O/c20-17(16-9-12-3-4-14(16)8-12)19(15-5-6-15)11-13-2-1-7-18-10-13/h3-4,12-16,18H,1-2,5-11H2
InChIKeyIJRICMYQVIQTQM-UHFFFAOYSA-N
XLogP2.19
TPSA32.34 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500274.41
LogP ≤ 52.19
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-methyl-N-(piperidin-3-ylmethyl)bicyclo[2.2.1]hept-5-ene-2-carboxamide
CID 106627975
N-ethyl-N-(piperidin-3-ylmethyl)bicyclo[2.2.1]hept-5-ene-2-carboxamide
CID 106629590
2-[bicyclo[2.2.1]hept-5-ene-2-carbonyl(cyclopropyl)amino]acetic acid
CID 54946073
N-ethyl-N-piperidin-4-ylbicyclo[2.2.1]hept-5-ene-2-carboxamide
CID 54923298
N-cyclopropyl-N-(piperidin-3-ylmethyl)oxolane-2-carboxamide
CID 106628691
N-cyclopropyl-2-methylsulfanyl-N-(piperidin-3-ylmethyl)acetamide
CID 106628625
1-cyclopropyl-3,3-diethyl-1-(piperidin-3-ylmethyl)urea
CID 106629978
N-cyclopropyl-2-methoxy-N-(piperidin-3-ylmethyl)acetamide
CID 106628700
3-cyclohexyl-N-cyclopropyl-N-(piperidin-3-ylmethyl)propanamide
CID 106628725
3,5-dichloro-N-cyclopropyl-N-(piperidin-3-ylmethyl)benzamide
CID 106628660
N-cyclopropyl-3-(dimethylamino)-N-(piperidin-3-ylmethyl)propanamide
CID 106628487
N,N-bis(prop-2-enyl)bicyclo[2.2.1]hept-5-ene-2-carboxamide
CID 15204421

Frequently Asked Questions

What is the IUPAC name of N-cyclopropyl-N-(piperidin-3-ylmethyl)bicyclo[2.2.1]hept-5-ene-2-carboxamide?
The IUPAC name of N-cyclopropyl-N-(piperidin-3-ylmethyl)bicyclo[2.2.1]hept-5-ene-2-carboxamide (CID 106628760) is N-cyclopropyl-N-(piperidin-3-ylmethyl)bicyclo[2.2.1]hept-5-ene-2-carboxamide.
What is the SMILES notation for N-cyclopropyl-N-(piperidin-3-ylmethyl)bicyclo[2.2.1]hept-5-ene-2-carboxamide?
The canonical SMILES for N-cyclopropyl-N-(piperidin-3-ylmethyl)bicyclo[2.2.1]hept-5-ene-2-carboxamide is O=C(C1CC2C=CC1C2)N(CC1CCCNC1)C1CC1.
What is the InChIKey of N-cyclopropyl-N-(piperidin-3-ylmethyl)bicyclo[2.2.1]hept-5-ene-2-carboxamide?
The InChIKey is IJRICMYQVIQTQM-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H26N2O/c20-17(16-9-12-3-4-14(16)8-12)19(15-5-6-15)11-13-2-1-7-18-10-13/h3-4,12-16,18H,1-2,5-11H2.
What are the key properties of N-cyclopropyl-N-(piperidin-3-ylmethyl)bicyclo[2.2.1]hept-5-ene-2-carboxamide?
N-cyclopropyl-N-(piperidin-3-ylmethyl)bicyclo[2.2.1]hept-5-ene-2-carboxamide has a molecular weight of 274.41 g/mol, XLogP of 2.19, 4 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-cyclopropyl-N-(piperidin-3-ylmethyl)bicyclo[2.2.1]hept-5-ene-2-carboxamide is sourced from PubChem (CID 106628760), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).