(4-benzylpiperidin-1-yl)-[1-(2-bicyclo[2.2.1]hept-5-enylmethyl)piperidin-3-yl]methanone

C26H36N2O — CID 5205843

IUPAC(4-benzylpiperidin-1-yl)-[1-(2-bicyclo[2.2.1]hept-5-enylmethyl)piperidin-3-yl]methanone
SMILESO=C(C1CCCN(CC2CC3C=CC2C3)C1)N1CCC(Cc2ccccc2)CC1
InChIInChI=1S/C26H36N2O/c29-26(28-13-10-21(11-14-28)15-20-5-2-1-3-6-20)24-7-4-12-27(18-24)19-25-17-22-8-9-23(25)16-22/h1-3,5-6,8-9,21-25H,4,7,10-19H2
InChIKeyIIEMIRGCPDLRGC-UHFFFAOYSA-N
MW392.59 g/mol
LogP4.39
Rot. Bonds5

About (4-benzylpiperidin-1-yl)-[1-(2-bicyclo[2.2.1]hept-5-enylmethyl)piperidin-3-yl]methanone

(4-benzylpiperidin-1-yl)-[1-(2-bicyclo[2.2.1]hept-5-enylmethyl)piperidin-3-yl]methanone (PubChem CID 5205843) has the molecular formula C26H36N2O and a molecular weight of 392.59 g/mol. Its IUPAC name is (4-benzylpiperidin-1-yl)-[1-(2-bicyclo[2.2.1]hept-5-enylmethyl)piperidin-3-yl]methanone.

Molecular Properties

Compound Name(4-benzylpiperidin-1-yl)-[1-(2-bicyclo[2.2.1]hept-5-enylmethyl)piperidin-3-yl]methanone
PubChem CID5205843
Molecular FormulaC26H36N2O
Molecular Weight392.59 g/mol
Exact Mass392.28
IUPAC Name(4-benzylpiperidin-1-yl)-[1-(2-bicyclo[2.2.1]hept-5-enylmethyl)piperidin-3-yl]methanone
SMILESO=C(C1CCCN(CC2CC3C=CC2C3)C1)N1CCC(Cc2ccccc2)CC1
InChIInChI=1S/C26H36N2O/c29-26(28-13-10-21(11-14-28)15-20-5-2-1-3-6-20)24-7-4-12-27(18-24)19-25-17-22-8-9-23(25)16-22/h1-3,5-6,8-9,21-25H,4,7,10-19H2
InChIKeyIIEMIRGCPDLRGC-UHFFFAOYSA-N
XLogP4.39
TPSA23.55 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500392.59
LogP ≤ 54.39
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

Analyze (4-benzylpiperidin-1-yl)-[1-(2-bicyclo[2.2.1]hept-5-enylmethyl)piperidin-3-yl]methanone with MolForge

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Related Compounds

(4-benzylpiperidin-1-yl)-[1-(pyridin-2-ylmethyl)piperidin-3-yl]methanone
CID 3783118
(4-benzylpiperidin-1-yl)-[1-[(4-ethylphenyl)methyl]piperidin-3-yl]methanone
CID 3482407
(4-benzylpiperidin-1-yl)-[(3R)-1-[(2-nitrophenyl)methyl]piperidin-3-yl]methanone
CID 7344095
(3-benzylpyrrolidin-1-yl)-cyclobutylmethanone
CID 110874334
(4-benzylpiperidin-1-yl)-[(3R)-1-[(3-methoxyphenyl)methyl]piperidin-3-yl]methanone
CID 40640492
(1S,2R,3R,4R)-3-(4-benzylpiperidine-1-carbonyl)bicyclo[2.2.1]hept-5-ene-2-carboxylic acid
CID 756892
(4-benzylpiperidin-1-yl)-[(3R)-1-[(1R,3R)-3-methylcyclohexyl]piperidin-3-yl]methanone
CID 29056396
(4-benzylpiperidin-1-yl)-[(3R)-1-[(1S,3S)-3-methylcyclohexyl]piperidin-3-yl]methanone
CID 29056402
azepan-1-yl-[(3R)-1-benzylpiperidin-3-yl]methanone
CID 756185
[(3R)-1-benzylpiperidin-3-yl]-piperidin-1-ylmethanone
CID 756196
3-(4-benzylpiperidine-1-carbonyl)bicyclo[2.2.2]oct-5-ene-2-carboxylic acid
CID 17379093
(4-benzylpiperidin-1-yl)-(thiolan-3-yl)methanone
CID 110855778

Frequently Asked Questions

What is the IUPAC name of (4-benzylpiperidin-1-yl)-[1-(2-bicyclo[2.2.1]hept-5-enylmethyl)piperidin-3-yl]methanone?
The IUPAC name of (4-benzylpiperidin-1-yl)-[1-(2-bicyclo[2.2.1]hept-5-enylmethyl)piperidin-3-yl]methanone (CID 5205843) is (4-benzylpiperidin-1-yl)-[1-(2-bicyclo[2.2.1]hept-5-enylmethyl)piperidin-3-yl]methanone.
What is the SMILES notation for (4-benzylpiperidin-1-yl)-[1-(2-bicyclo[2.2.1]hept-5-enylmethyl)piperidin-3-yl]methanone?
The canonical SMILES for (4-benzylpiperidin-1-yl)-[1-(2-bicyclo[2.2.1]hept-5-enylmethyl)piperidin-3-yl]methanone is O=C(C1CCCN(CC2CC3C=CC2C3)C1)N1CCC(Cc2ccccc2)CC1.
What is the InChIKey of (4-benzylpiperidin-1-yl)-[1-(2-bicyclo[2.2.1]hept-5-enylmethyl)piperidin-3-yl]methanone?
The InChIKey is IIEMIRGCPDLRGC-UHFFFAOYSA-N. The full InChI is InChI=1S/C26H36N2O/c29-26(28-13-10-21(11-14-28)15-20-5-2-1-3-6-20)24-7-4-12-27(18-24)19-25-17-22-8-9-23(25)16-22/h1-3,5-6,8-9,21-25H,4,7,10-19H2.
What are the key properties of (4-benzylpiperidin-1-yl)-[1-(2-bicyclo[2.2.1]hept-5-enylmethyl)piperidin-3-yl]methanone?
(4-benzylpiperidin-1-yl)-[1-(2-bicyclo[2.2.1]hept-5-enylmethyl)piperidin-3-yl]methanone has a molecular weight of 392.59 g/mol, XLogP of 4.39, 5 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (4-benzylpiperidin-1-yl)-[1-(2-bicyclo[2.2.1]hept-5-enylmethyl)piperidin-3-yl]methanone is sourced from PubChem (CID 5205843), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).