N-[(2-benzyl-2-azabicyclo[2.1.1]hexan-1-yl)methyl]-1-(4-methoxyphenyl)cyclopentane-1-carboxamide

C26H32N2O2 — CID 162648771

IUPACN-[(2-benzyl-2-azabicyclo[2.1.1]hexan-1-yl)methyl]-1-(4-methoxyphenyl)cyclopentane-1-carboxamide
SMILESCOc1ccc(C2(C(=O)NCC34CC(CN3Cc3ccccc3)C4)CCCC2)cc1
InChIInChI=1S/C26H32N2O2/c1-30-23-11-9-22(10-12-23)26(13-5-6-14-26)24(29)27-19-25-15-21(16-25)18-28(25)17-20-7-3-2-4-8-20/h2-4,7-12,21H,5-6,13-19H2,1H3,(H,27,29)
InChIKeyWBLVXXRLXNPIFX-UHFFFAOYSA-N
MW404.55 g/mol
LogP4.29
Rot. Bonds7

About N-[(2-benzyl-2-azabicyclo[2.1.1]hexan-1-yl)methyl]-1-(4-methoxyphenyl)cyclopentane-1-carboxamide

N-[(2-benzyl-2-azabicyclo[2.1.1]hexan-1-yl)methyl]-1-(4-methoxyphenyl)cyclopentane-1-carboxamide (PubChem CID 162648771) has the molecular formula C26H32N2O2 and a molecular weight of 404.55 g/mol. Its IUPAC name is N-[(2-benzyl-2-azabicyclo[2.1.1]hexan-1-yl)methyl]-1-(4-methoxyphenyl)cyclopentane-1-carboxamide.

Molecular Properties

Compound NameN-[(2-benzyl-2-azabicyclo[2.1.1]hexan-1-yl)methyl]-1-(4-methoxyphenyl)cyclopentane-1-carboxamide
PubChem CID162648771
Molecular FormulaC26H32N2O2
Molecular Weight404.55 g/mol
Exact Mass404.25
IUPAC NameN-[(2-benzyl-2-azabicyclo[2.1.1]hexan-1-yl)methyl]-1-(4-methoxyphenyl)cyclopentane-1-carboxamide
SMILESCOc1ccc(C2(C(=O)NCC34CC(CN3Cc3ccccc3)C4)CCCC2)cc1
InChIInChI=1S/C26H32N2O2/c1-30-23-11-9-22(10-12-23)26(13-5-6-14-26)24(29)27-19-25-15-21(16-25)18-28(25)17-20-7-3-2-4-8-20/h2-4,7-12,21H,5-6,13-19H2,1H3,(H,27,29)
InChIKeyWBLVXXRLXNPIFX-UHFFFAOYSA-N
XLogP4.29
TPSA41.57 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds7
Heavy Atoms30
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500404.55
LogP ≤ 54.29
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

N-[2-(4-methoxyphenyl)ethyl]-1-phenylcyclopentane-1-carboxamide
CID 4682158
N-ethyl-1-(4-methoxyphenyl)cyclopentane-1-carboxamide
CID 110487274
1-(4-methoxyphenyl)-N-[[(3R)-1-methylpiperidin-3-yl]methyl]cyclopentane-1-carboxamide
CID 95214855
3-[[1-(4-methoxyphenyl)cyclopentanecarbonyl]amino]-2-methylpropanoic acid
CID 119237635
N-[[4-benzyl-5-[[(2S)-oxolan-2-yl]methylsulfanyl]-1,2,4-triazol-3-yl]methyl]-1-(4-methoxyphenyl)cyclopentane-1-carboxamide
CID 26324770
1-(4-fluorophenyl)-N-[(4-methoxyphenyl)methyl]cyclobutane-1-carboxamide
CID 110438220
(2S)-3-(4-methoxyphenyl)-2-[(1-phenylcyclopentanecarbonyl)amino]propanoic acid
CID 54228911
methyl 5-[(4-methoxyphenyl)methyl]-7-oxo-5-azaspiro[3.4]octane-8-carboxylate
CID 164871257
N-[(2S)-1-(4-methoxyphenoxy)propan-2-yl]-1-phenylcyclopentane-1-carboxamide
CID 100615641
N-[[(2R)-1,4-dioxan-2-yl]methyl]-1-(4-methoxyphenyl)cyclohexane-1-carboxamide
CID 95164050
N-[[4-(methoxymethyl)piperidin-4-yl]methyl]-1-(4-methoxyphenyl)cyclohexane-1-carboxamide;hydrochloride
CID 120888880
1-(4-acetamidophenyl)-N-[(4-methoxyphenyl)methyl]cyclobutane-1-carboxamide
CID 53110552

Frequently Asked Questions

What is the IUPAC name of N-[(2-benzyl-2-azabicyclo[2.1.1]hexan-1-yl)methyl]-1-(4-methoxyphenyl)cyclopentane-1-carboxamide?
The IUPAC name of N-[(2-benzyl-2-azabicyclo[2.1.1]hexan-1-yl)methyl]-1-(4-methoxyphenyl)cyclopentane-1-carboxamide (CID 162648771) is N-[(2-benzyl-2-azabicyclo[2.1.1]hexan-1-yl)methyl]-1-(4-methoxyphenyl)cyclopentane-1-carboxamide.
What is the SMILES notation for N-[(2-benzyl-2-azabicyclo[2.1.1]hexan-1-yl)methyl]-1-(4-methoxyphenyl)cyclopentane-1-carboxamide?
The canonical SMILES for N-[(2-benzyl-2-azabicyclo[2.1.1]hexan-1-yl)methyl]-1-(4-methoxyphenyl)cyclopentane-1-carboxamide is COc1ccc(C2(C(=O)NCC34CC(CN3Cc3ccccc3)C4)CCCC2)cc1.
What is the InChIKey of N-[(2-benzyl-2-azabicyclo[2.1.1]hexan-1-yl)methyl]-1-(4-methoxyphenyl)cyclopentane-1-carboxamide?
The InChIKey is WBLVXXRLXNPIFX-UHFFFAOYSA-N. The full InChI is InChI=1S/C26H32N2O2/c1-30-23-11-9-22(10-12-23)26(13-5-6-14-26)24(29)27-19-25-15-21(16-25)18-28(25)17-20-7-3-2-4-8-20/h2-4,7-12,21H,5-6,13-19H2,1H3,(H,27,29).
What are the key properties of N-[(2-benzyl-2-azabicyclo[2.1.1]hexan-1-yl)methyl]-1-(4-methoxyphenyl)cyclopentane-1-carboxamide?
N-[(2-benzyl-2-azabicyclo[2.1.1]hexan-1-yl)methyl]-1-(4-methoxyphenyl)cyclopentane-1-carboxamide has a molecular weight of 404.55 g/mol, XLogP of 4.29, 7 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(2-benzyl-2-azabicyclo[2.1.1]hexan-1-yl)methyl]-1-(4-methoxyphenyl)cyclopentane-1-carboxamide is sourced from PubChem (CID 162648771), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).