1-[2-[3-[(1S,5R)-6-[(dimethylamino)methyl]-3-azabicyclo[3.1.0]hexane-3-carbonyl]phenyl]phenyl]ethanone

C23H26N2O2 — CID 119074298

IUPAC1-[2-[3-[(1S,5R)-6-[(dimethylamino)methyl]-3-azabicyclo[3.1.0]hexane-3-carbonyl]phenyl]phenyl]ethanone
SMILESCC(=O)c1ccccc1-c1cccc(C(=O)N2C[C@@H]3C(CN(C)C)[C@@H]3C2)c1
InChIInChI=1S/C23H26N2O2/c1-15(26)18-9-4-5-10-19(18)16-7-6-8-17(11-16)23(27)25-13-21-20(12-24(2)3)22(21)14-25/h4-11,20-22H,12-14H2,1-3H3/t20?,21-,22+
InChIKeySGFNJUAPYKARJI-FRIKZZABSA-N
MW362.47 g/mol
LogP3.44
Rot. Bonds5

About 1-[2-[3-[(1S,5R)-6-[(dimethylamino)methyl]-3-azabicyclo[3.1.0]hexane-3-carbonyl]phenyl]phenyl]ethanone

1-[2-[3-[(1S,5R)-6-[(dimethylamino)methyl]-3-azabicyclo[3.1.0]hexane-3-carbonyl]phenyl]phenyl]ethanone (PubChem CID 119074298) has the molecular formula C23H26N2O2 and a molecular weight of 362.47 g/mol. Its IUPAC name is 1-[2-[3-[(1S,5R)-6-[(dimethylamino)methyl]-3-azabicyclo[3.1.0]hexane-3-carbonyl]phenyl]phenyl]ethanone.

Molecular Properties

Compound Name1-[2-[3-[(1S,5R)-6-[(dimethylamino)methyl]-3-azabicyclo[3.1.0]hexane-3-carbonyl]phenyl]phenyl]ethanone
PubChem CID119074298
Molecular FormulaC23H26N2O2
Molecular Weight362.47 g/mol
Exact Mass362.20
IUPAC Name1-[2-[3-[(1S,5R)-6-[(dimethylamino)methyl]-3-azabicyclo[3.1.0]hexane-3-carbonyl]phenyl]phenyl]ethanone
SMILESCC(=O)c1ccccc1-c1cccc(C(=O)N2C[C@@H]3C(CN(C)C)[C@@H]3C2)c1
InChIInChI=1S/C23H26N2O2/c1-15(26)18-9-4-5-10-19(18)16-7-6-8-17(11-16)23(27)25-13-21-20(12-24(2)3)22(21)14-25/h4-11,20-22H,12-14H2,1-3H3/t20?,21-,22+
InChIKeySGFNJUAPYKARJI-FRIKZZABSA-N
XLogP3.44
TPSA40.62 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500362.47
LogP ≤ 53.44
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Analyze 1-[2-[3-[(1S,5R)-6-[(dimethylamino)methyl]-3-azabicyclo[3.1.0]hexane-3-carbonyl]phenyl]phenyl]ethanone with MolForge

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Related Compounds

1-[2-[3-(3-aminopiperidine-1-carbonyl)phenyl]phenyl]ethanone
CID 119062026
[(1S,5R)-6-[(dimethylamino)methyl]-3-azabicyclo[3.1.0]hexan-3-yl]-[4-(4-hydroxyphenyl)phenyl]methanone
CID 56892541
2-[3-(4-acetyl-1,4-diazepane-1-carbonyl)phenyl]benzamide
CID 119069105
2-(3-acetylphenyl)benzoic acid
CID 2756265
[4-[3-(dimethylamino)propyl]-3,5-dimethylpiperazin-1-yl]-(3-phenylphenyl)methanone
CID 110290516
2-[3-[(3R)-3-ethyl-4-propan-2-ylpiperazine-1-carbonyl]phenyl]benzamide
CID 126434276
[(3R,4R)-3-fluoro-4-hydroxypyrrolidin-1-yl]-[3-(2-methoxyphenyl)phenyl]methanone
CID 131945890
1H-benzimidazol-2-yl-[(1S,5R)-6-[(dimethylamino)methyl]-3-azabicyclo[3.1.0]hexan-3-yl]methanone
CID 56909563
[3-(2-bromophenyl)phenyl]-(4-methylpiperidin-1-yl)methanone
CID 170459987
1-[4-fluoro-2-[3-[(3S)-3-methoxypiperidine-1-carbonyl]phenyl]phenyl]ethanone
CID 126438840
[4-(2-fluorobenzoyl)piperazin-1-yl]-[3-(2-methoxyphenyl)phenyl]methanone
CID 134800061
[4-[(dimethylamino)methyl]piperidin-1-yl]-(3-hydroxyphenyl)methanone
CID 54986051

Frequently Asked Questions

What is the IUPAC name of 1-[2-[3-[(1S,5R)-6-[(dimethylamino)methyl]-3-azabicyclo[3.1.0]hexane-3-carbonyl]phenyl]phenyl]ethanone?
The IUPAC name of 1-[2-[3-[(1S,5R)-6-[(dimethylamino)methyl]-3-azabicyclo[3.1.0]hexane-3-carbonyl]phenyl]phenyl]ethanone (CID 119074298) is 1-[2-[3-[(1S,5R)-6-[(dimethylamino)methyl]-3-azabicyclo[3.1.0]hexane-3-carbonyl]phenyl]phenyl]ethanone.
What is the SMILES notation for 1-[2-[3-[(1S,5R)-6-[(dimethylamino)methyl]-3-azabicyclo[3.1.0]hexane-3-carbonyl]phenyl]phenyl]ethanone?
The canonical SMILES for 1-[2-[3-[(1S,5R)-6-[(dimethylamino)methyl]-3-azabicyclo[3.1.0]hexane-3-carbonyl]phenyl]phenyl]ethanone is CC(=O)c1ccccc1-c1cccc(C(=O)N2C[C@@H]3C(CN(C)C)[C@@H]3C2)c1.
What is the InChIKey of 1-[2-[3-[(1S,5R)-6-[(dimethylamino)methyl]-3-azabicyclo[3.1.0]hexane-3-carbonyl]phenyl]phenyl]ethanone?
The InChIKey is SGFNJUAPYKARJI-FRIKZZABSA-N. The full InChI is InChI=1S/C23H26N2O2/c1-15(26)18-9-4-5-10-19(18)16-7-6-8-17(11-16)23(27)25-13-21-20(12-24(2)3)22(21)14-25/h4-11,20-22H,12-14H2,1-3H3/t20?,21-,22+.
What are the key properties of 1-[2-[3-[(1S,5R)-6-[(dimethylamino)methyl]-3-azabicyclo[3.1.0]hexane-3-carbonyl]phenyl]phenyl]ethanone?
1-[2-[3-[(1S,5R)-6-[(dimethylamino)methyl]-3-azabicyclo[3.1.0]hexane-3-carbonyl]phenyl]phenyl]ethanone has a molecular weight of 362.47 g/mol, XLogP of 3.44, 5 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[2-[3-[(1S,5R)-6-[(dimethylamino)methyl]-3-azabicyclo[3.1.0]hexane-3-carbonyl]phenyl]phenyl]ethanone is sourced from PubChem (CID 119074298), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).