2-[(1S,5R)-3-hydroxy-3-(1-methylimidazol-2-yl)-8-azabicyclo[3.2.1]octan-8-yl]-N-(2-morpholin-4-ylphenyl)acetamide

C23H31N5O3 — CID 95797305

IUPAC2-[(1S,5R)-3-hydroxy-3-(1-methylimidazol-2-yl)-8-azabicyclo[3.2.1]octan-8-yl]-N-(2-morpholin-4-ylphenyl)acetamide
SMILESCn1ccnc1C1(O)C[C@H]2CC[C@@H](C1)N2CC(=O)Nc1ccccc1N1CCOCC1
InChIInChI=1S/C23H31N5O3/c1-26-9-8-24-22(26)23(30)14-17-6-7-18(15-23)28(17)16-21(29)25-19-4-2-3-5-20(19)27-10-12-31-13-11-27/h2-5,8-9,17-18,30H,6-7,10-16H2,1H3,(H,25,29)/t17-,18+,23?
InChIKeyKHEDMVVOOILFBR-NHJWOMDBSA-N
MW425.53 g/mol
LogP1.71
Rot. Bonds5

About 2-[(1S,5R)-3-hydroxy-3-(1-methylimidazol-2-yl)-8-azabicyclo[3.2.1]octan-8-yl]-N-(2-morpholin-4-ylphenyl)acetamide

2-[(1S,5R)-3-hydroxy-3-(1-methylimidazol-2-yl)-8-azabicyclo[3.2.1]octan-8-yl]-N-(2-morpholin-4-ylphenyl)acetamide (PubChem CID 95797305) has the molecular formula C23H31N5O3 and a molecular weight of 425.53 g/mol. Its IUPAC name is 2-[(1S,5R)-3-hydroxy-3-(1-methylimidazol-2-yl)-8-azabicyclo[3.2.1]octan-8-yl]-N-(2-morpholin-4-ylphenyl)acetamide.

Molecular Properties

Compound Name2-[(1S,5R)-3-hydroxy-3-(1-methylimidazol-2-yl)-8-azabicyclo[3.2.1]octan-8-yl]-N-(2-morpholin-4-ylphenyl)acetamide
PubChem CID95797305
Molecular FormulaC23H31N5O3
Molecular Weight425.53 g/mol
Exact Mass425.24
IUPAC Name2-[(1S,5R)-3-hydroxy-3-(1-methylimidazol-2-yl)-8-azabicyclo[3.2.1]octan-8-yl]-N-(2-morpholin-4-ylphenyl)acetamide
SMILESCn1ccnc1C1(O)C[C@H]2CC[C@@H](C1)N2CC(=O)Nc1ccccc1N1CCOCC1
InChIInChI=1S/C23H31N5O3/c1-26-9-8-24-22(26)23(30)14-17-6-7-18(15-23)28(17)16-21(29)25-19-4-2-3-5-20(19)27-10-12-31-13-11-27/h2-5,8-9,17-18,30H,6-7,10-16H2,1H3,(H,25,29)/t17-,18+,23?
InChIKeyKHEDMVVOOILFBR-NHJWOMDBSA-N
XLogP1.71
TPSA82.86 Ų
H-Bond Donors2
H-Bond Acceptors7
Rotatable Bonds5
Heavy Atoms31
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500425.53
LogP ≤ 51.71
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 107

Analyze 2-[(1S,5R)-3-hydroxy-3-(1-methylimidazol-2-yl)-8-azabicyclo[3.2.1]octan-8-yl]-N-(2-morpholin-4-ylphenyl)acetamide with MolForge

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Related Compounds

8-(2,2-dimethyl-3-morpholin-4-ylpropyl)-3-(1-methylimidazol-2-yl)-8-azabicyclo[3.2.1]octan-3-ol
CID 16673724
N-(2-morpholin-4-ylphenyl)-2-pyrrol-1-ylacetamide
CID 110688626
N-(2-morpholin-4-ylphenyl)-3-oxobutanamide
CID 18071535
2-[(2S)-2-(1-methylpyrrol-2-yl)pyrrolidin-1-yl]-N-(2-morpholin-4-ylphenyl)acetamide
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N-(2-morpholin-4-ylphenyl)-2-(4-pyridin-2-ylpiperazin-1-yl)acetamide
CID 109004729
2-[(1S,5R)-3-hydroxy-3-(1-methylimidazol-2-yl)-8-azabicyclo[3.2.1]octan-8-yl]-N-(6-methoxy-1,3-benzothiazol-2-yl)acetamide
CID 95797300
N'-(5-methyl-1,2-oxazol-3-yl)-N-(2-morpholin-4-ylphenyl)propanediamide
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CID 60650852
2-(2,6-dimethylanilino)-N-(2-morpholin-4-ylphenyl)acetamide
CID 109007545
N',N'-diethyl-N-(2-morpholin-4-ylphenyl)propanediamide
CID 108951131
2-(1-methyl-3,5-dioxopyrazolidin-4-yl)-N-(2-morpholin-4-ylphenyl)acetamide
CID 110703579
3,3-dimethyl-5-(2-morpholin-4-ylanilino)-5-oxopentanoic acid
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Frequently Asked Questions

What is the IUPAC name of 2-[(1S,5R)-3-hydroxy-3-(1-methylimidazol-2-yl)-8-azabicyclo[3.2.1]octan-8-yl]-N-(2-morpholin-4-ylphenyl)acetamide?
The IUPAC name of 2-[(1S,5R)-3-hydroxy-3-(1-methylimidazol-2-yl)-8-azabicyclo[3.2.1]octan-8-yl]-N-(2-morpholin-4-ylphenyl)acetamide (CID 95797305) is 2-[(1S,5R)-3-hydroxy-3-(1-methylimidazol-2-yl)-8-azabicyclo[3.2.1]octan-8-yl]-N-(2-morpholin-4-ylphenyl)acetamide.
What is the SMILES notation for 2-[(1S,5R)-3-hydroxy-3-(1-methylimidazol-2-yl)-8-azabicyclo[3.2.1]octan-8-yl]-N-(2-morpholin-4-ylphenyl)acetamide?
The canonical SMILES for 2-[(1S,5R)-3-hydroxy-3-(1-methylimidazol-2-yl)-8-azabicyclo[3.2.1]octan-8-yl]-N-(2-morpholin-4-ylphenyl)acetamide is Cn1ccnc1C1(O)C[C@H]2CC[C@@H](C1)N2CC(=O)Nc1ccccc1N1CCOCC1.
What is the InChIKey of 2-[(1S,5R)-3-hydroxy-3-(1-methylimidazol-2-yl)-8-azabicyclo[3.2.1]octan-8-yl]-N-(2-morpholin-4-ylphenyl)acetamide?
The InChIKey is KHEDMVVOOILFBR-NHJWOMDBSA-N. The full InChI is InChI=1S/C23H31N5O3/c1-26-9-8-24-22(26)23(30)14-17-6-7-18(15-23)28(17)16-21(29)25-19-4-2-3-5-20(19)27-10-12-31-13-11-27/h2-5,8-9,17-18,30H,6-7,10-16H2,1H3,(H,25,29)/t17-,18+,23?.
What are the key properties of 2-[(1S,5R)-3-hydroxy-3-(1-methylimidazol-2-yl)-8-azabicyclo[3.2.1]octan-8-yl]-N-(2-morpholin-4-ylphenyl)acetamide?
2-[(1S,5R)-3-hydroxy-3-(1-methylimidazol-2-yl)-8-azabicyclo[3.2.1]octan-8-yl]-N-(2-morpholin-4-ylphenyl)acetamide has a molecular weight of 425.53 g/mol, XLogP of 1.71, 5 rotatable bonds, 2 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[(1S,5R)-3-hydroxy-3-(1-methylimidazol-2-yl)-8-azabicyclo[3.2.1]octan-8-yl]-N-(2-morpholin-4-ylphenyl)acetamide is sourced from PubChem (CID 95797305), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).