6-[[(2-cyclopentyl-2-hydroxy-2-phenylacetyl)amino]methyl]-N-(4-fluorophenyl)-3-azabicyclo[3.1.0]hexane-3-carboxamide

C26H30FN3O3 — CID 11583268

IUPAC6-[[(2-cyclopentyl-2-hydroxy-2-phenylacetyl)amino]methyl]-N-(4-fluorophenyl)-3-azabicyclo[3.1.0]hexane-3-carboxamide
SMILESO=C(Nc1ccc(F)cc1)N1CC2C(CNC(=O)C(O)(c3ccccc3)C3CCCC3)C2C1
InChIInChI=1S/C26H30FN3O3/c27-19-10-12-20(13-11-19)29-25(32)30-15-22-21(23(22)16-30)14-28-24(31)26(33,18-8-4-5-9-18)17-6-2-1-3-7-17/h1-3,6-7,10-13,18,21-23,33H,4-5,8-9,14-16H2,(H,28,31)(H,29,32)
InChIKeyFWVMVJVDCRXIOZ-UHFFFAOYSA-N
MW451.54 g/mol
LogP3.73
Rot. Bonds6

About 6-[[(2-cyclopentyl-2-hydroxy-2-phenylacetyl)amino]methyl]-N-(4-fluorophenyl)-3-azabicyclo[3.1.0]hexane-3-carboxamide

6-[[(2-cyclopentyl-2-hydroxy-2-phenylacetyl)amino]methyl]-N-(4-fluorophenyl)-3-azabicyclo[3.1.0]hexane-3-carboxamide (PubChem CID 11583268) has the molecular formula C26H30FN3O3 and a molecular weight of 451.54 g/mol. Its IUPAC name is 6-[[(2-cyclopentyl-2-hydroxy-2-phenylacetyl)amino]methyl]-N-(4-fluorophenyl)-3-azabicyclo[3.1.0]hexane-3-carboxamide.

Molecular Properties

Compound Name6-[[(2-cyclopentyl-2-hydroxy-2-phenylacetyl)amino]methyl]-N-(4-fluorophenyl)-3-azabicyclo[3.1.0]hexane-3-carboxamide
PubChem CID11583268
Molecular FormulaC26H30FN3O3
Molecular Weight451.54 g/mol
Exact Mass451.23
IUPAC Name6-[[(2-cyclopentyl-2-hydroxy-2-phenylacetyl)amino]methyl]-N-(4-fluorophenyl)-3-azabicyclo[3.1.0]hexane-3-carboxamide
SMILESO=C(Nc1ccc(F)cc1)N1CC2C(CNC(=O)C(O)(c3ccccc3)C3CCCC3)C2C1
InChIInChI=1S/C26H30FN3O3/c27-19-10-12-20(13-11-19)29-25(32)30-15-22-21(23(22)16-30)14-28-24(31)26(33,18-8-4-5-9-18)17-6-2-1-3-7-17/h1-3,6-7,10-13,18,21-23,33H,4-5,8-9,14-16H2,(H,28,31)(H,29,32)
InChIKeyFWVMVJVDCRXIOZ-UHFFFAOYSA-N
XLogP3.73
TPSA81.67 Ų
H-Bond Donors3
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms33
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500451.54
LogP ≤ 53.73
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 103

Analyze 6-[[(2-cyclopentyl-2-hydroxy-2-phenylacetyl)amino]methyl]-N-(4-fluorophenyl)-3-azabicyclo[3.1.0]hexane-3-carboxamide with MolForge

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Related Compounds

N-[(3-benzhydryl-3-azabicyclo[3.1.0]hexan-6-yl)methyl]-2-cyclopentyl-2-hydroxy-2-phenylacetamide
CID 11179117
2-cyclohexyl-2-hydroxy-N-[[3-[(4-methylphenyl)methyl]-3-azabicyclo[3.1.0]hexan-6-yl]methyl]-2-phenylacetamide
CID 11201313
2-cyclohexyl-2-hydroxy-N-[[3-(3-methylbut-2-enyl)-3-azabicyclo[3.1.0]hexan-6-yl]methyl]-2-phenylacetamide
CID 10430882
(2S)-2-cyclopentyl-2-hydroxy-N-[[3-[(3-methylphenyl)methyl]-3-azabicyclo[3.1.0]hexan-6-yl]methyl]-2-phenylacetamide
CID 69309714
N-[(5R)-3-benzyl-3-azabicyclo[3.1.0]hexan-6-yl]-2-cyclopentyl-2-hydroxy-2-phenylacetamide
CID 68905775
(3S)-3-N-(4-fluorophenyl)-1-N-phenylpiperidine-1,3-dicarboxamide
CID 9070375
2-cyclohexyl-2-hydroxy-2-phenyl-N-(4-piperidin-1-ylbut-2-ynyl)acetamide
CID 15023468
(3R)-3-N-benzyl-1-N-(4-fluorophenyl)piperidine-1,3-dicarboxamide
CID 51686692
(2R)-N-[[[(1S,5R)-3-benzyl-3-azabicyclo[3.1.0]hexan-6-yl]amino]methyl]-2-cyclopentyl-2-hydroxy-2-phenylacetamide;(2R,3R)-2,3-dihydroxybutanedioic acid
CID 16718276
2-cyclohexyl-2-hydroxy-2-phenyl-N-[[[(1R,5S)-3-(pyridin-4-ylmethyl)-3-azabicyclo[3.1.0]hexan-6-yl]amino]methyl]acetamide
CID 16717926
N-[[(5S)-3-chloro-3-azabicyclo[3.1.0]hexan-1-yl]methyl]-2-cyclopentyl-2-hydroxy-2-phenylacetamide
CID 91048962
2-cyclopentyl-2-hydroxy-N-[(5R)-3-[(2-methylphenyl)methyl]-3-azabicyclo[3.1.0]hexan-6-yl]-2-phenylacetamide
CID 68901588

Frequently Asked Questions

What is the IUPAC name of 6-[[(2-cyclopentyl-2-hydroxy-2-phenylacetyl)amino]methyl]-N-(4-fluorophenyl)-3-azabicyclo[3.1.0]hexane-3-carboxamide?
The IUPAC name of 6-[[(2-cyclopentyl-2-hydroxy-2-phenylacetyl)amino]methyl]-N-(4-fluorophenyl)-3-azabicyclo[3.1.0]hexane-3-carboxamide (CID 11583268) is 6-[[(2-cyclopentyl-2-hydroxy-2-phenylacetyl)amino]methyl]-N-(4-fluorophenyl)-3-azabicyclo[3.1.0]hexane-3-carboxamide.
What is the SMILES notation for 6-[[(2-cyclopentyl-2-hydroxy-2-phenylacetyl)amino]methyl]-N-(4-fluorophenyl)-3-azabicyclo[3.1.0]hexane-3-carboxamide?
The canonical SMILES for 6-[[(2-cyclopentyl-2-hydroxy-2-phenylacetyl)amino]methyl]-N-(4-fluorophenyl)-3-azabicyclo[3.1.0]hexane-3-carboxamide is O=C(Nc1ccc(F)cc1)N1CC2C(CNC(=O)C(O)(c3ccccc3)C3CCCC3)C2C1.
What is the InChIKey of 6-[[(2-cyclopentyl-2-hydroxy-2-phenylacetyl)amino]methyl]-N-(4-fluorophenyl)-3-azabicyclo[3.1.0]hexane-3-carboxamide?
The InChIKey is FWVMVJVDCRXIOZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C26H30FN3O3/c27-19-10-12-20(13-11-19)29-25(32)30-15-22-21(23(22)16-30)14-28-24(31)26(33,18-8-4-5-9-18)17-6-2-1-3-7-17/h1-3,6-7,10-13,18,21-23,33H,4-5,8-9,14-16H2,(H,28,31)(H,29,32).
What are the key properties of 6-[[(2-cyclopentyl-2-hydroxy-2-phenylacetyl)amino]methyl]-N-(4-fluorophenyl)-3-azabicyclo[3.1.0]hexane-3-carboxamide?
6-[[(2-cyclopentyl-2-hydroxy-2-phenylacetyl)amino]methyl]-N-(4-fluorophenyl)-3-azabicyclo[3.1.0]hexane-3-carboxamide has a molecular weight of 451.54 g/mol, XLogP of 3.73, 6 rotatable bonds, 3 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 6-[[(2-cyclopentyl-2-hydroxy-2-phenylacetyl)amino]methyl]-N-(4-fluorophenyl)-3-azabicyclo[3.1.0]hexane-3-carboxamide is sourced from PubChem (CID 11583268), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).