6-[(2R,5R)-1-benzyl-7-azatricyclo[3.2.0.02,6]heptan-7-yl]-4-morpholin-4-yl-1H-pyridin-2-one

C22H25N3O2 — CID 156533668

IUPAC6-[(2R,5R)-1-benzyl-7-azatricyclo[3.2.0.02,6]heptan-7-yl]-4-morpholin-4-yl-1H-pyridin-2-one
SMILESO=c1cc(N2CCOCC2)cc(N2C3[C@H]4CC[C@H]3C42Cc2ccccc2)[nH]1
InChIInChI=1S/C22H25N3O2/c26-20-13-16(24-8-10-27-11-9-24)12-19(23-20)25-21-17-6-7-18(21)22(17,25)14-15-4-2-1-3-5-15/h1-5,12-13,17-18,21H,6-11,14H2,(H,23,26)/t17-,18-,21?,22?/m1/s1
InChIKeySHODJUZGQXOEML-NFAVZRQZSA-N
MW363.46 g/mol
LogP2.42
Rot. Bonds4

About 6-[(2R,5R)-1-benzyl-7-azatricyclo[3.2.0.02,6]heptan-7-yl]-4-morpholin-4-yl-1H-pyridin-2-one

6-[(2R,5R)-1-benzyl-7-azatricyclo[3.2.0.02,6]heptan-7-yl]-4-morpholin-4-yl-1H-pyridin-2-one (PubChem CID 156533668) has the molecular formula C22H25N3O2 and a molecular weight of 363.46 g/mol. Its IUPAC name is 6-[(2R,5R)-1-benzyl-7-azatricyclo[3.2.0.02,6]heptan-7-yl]-4-morpholin-4-yl-1H-pyridin-2-one.

Molecular Properties

Compound Name6-[(2R,5R)-1-benzyl-7-azatricyclo[3.2.0.02,6]heptan-7-yl]-4-morpholin-4-yl-1H-pyridin-2-one
PubChem CID156533668
Molecular FormulaC22H25N3O2
Molecular Weight363.46 g/mol
Exact Mass363.19
IUPAC Name6-[(2R,5R)-1-benzyl-7-azatricyclo[3.2.0.02,6]heptan-7-yl]-4-morpholin-4-yl-1H-pyridin-2-one
SMILESO=c1cc(N2CCOCC2)cc(N2C3[C@H]4CC[C@H]3C42Cc2ccccc2)[nH]1
InChIInChI=1S/C22H25N3O2/c26-20-13-16(24-8-10-27-11-9-24)12-19(23-20)25-21-17-6-7-18(21)22(17,25)14-15-4-2-1-3-5-15/h1-5,12-13,17-18,21H,6-11,14H2,(H,23,26)/t17-,18-,21?,22?/m1/s1
InChIKeySHODJUZGQXOEML-NFAVZRQZSA-N
XLogP2.42
TPSA48.57 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500363.46
LogP ≤ 52.42
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Analyze 6-[(2R,5R)-1-benzyl-7-azatricyclo[3.2.0.02,6]heptan-7-yl]-4-morpholin-4-yl-1H-pyridin-2-one with MolForge

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Launch Full Analysis

Related Compounds

6-(2-benzyl-4,4-difluoropyrrolidin-1-yl)-4-morpholin-4-yl-1H-pyridin-2-one
CID 156749681
6-[(2R,3R,5S)-5-benzyl-2,3-dimethylpyrrolidin-1-yl]-4-morpholin-4-yl-1H-pyridin-2-one
CID 174076900
6-(azepan-1-yl)-4-morpholin-4-yl-1H-pyridin-2-one
CID 156533558
7-benzylazepan-2-one;7-benzyl-1-[6-[(4-methoxyphenyl)methoxy]-4-morpholin-4-yl-2-pyridinyl]azepan-2-one;(7R)-7-benzyl-1-(4-morpholin-4-yl-6-oxo-1H-pyridin-2-yl)azepan-2-one;(7S)-7-benzyl-1-(4-morpholin-4-yl-6-oxo-1H-pyridin-2-yl)azepan-2-one
CID 159078005
4-(4-benzylphenyl)morpholine
CID 11514364
6-[(1S,2S,5R)-2-benzyl-3-azabicyclo[3.1.0]hexan-3-yl]-4-[(2R)-2-methylmorpholin-4-yl]-1H-pyridin-2-one
CID 156533586
6-morpholin-4-yl-4-phenoxy-1H-quinolin-2-one
CID 59237493
4-(4-morpholin-4-ylphenyl)piperazine-2,6-dione
CID 63787858
4-morpholin-4-yl-6-[7-[[1-(2-phenylethyl)piperidin-4-yl]amino]-9H-xanthen-4-yl]-1H-pyridin-2-one
CID 121393955
2-[(1S,2R,5R)-2-benzyl-3-azabicyclo[3.1.0]hexan-3-yl]-4-morpholin-4-yl-1H-pyrimidin-6-one
CID 156533576
(2R)-3-benzyl-2-(4-morpholin-4-ylphenyl)-1,2-dihydroquinazolin-4-one
CID 9006737
4-benzyl-1-phenylpiperidin-4-ol
CID 106820760

Frequently Asked Questions

What is the IUPAC name of 6-[(2R,5R)-1-benzyl-7-azatricyclo[3.2.0.02,6]heptan-7-yl]-4-morpholin-4-yl-1H-pyridin-2-one?
The IUPAC name of 6-[(2R,5R)-1-benzyl-7-azatricyclo[3.2.0.02,6]heptan-7-yl]-4-morpholin-4-yl-1H-pyridin-2-one (CID 156533668) is 6-[(2R,5R)-1-benzyl-7-azatricyclo[3.2.0.02,6]heptan-7-yl]-4-morpholin-4-yl-1H-pyridin-2-one.
What is the SMILES notation for 6-[(2R,5R)-1-benzyl-7-azatricyclo[3.2.0.02,6]heptan-7-yl]-4-morpholin-4-yl-1H-pyridin-2-one?
The canonical SMILES for 6-[(2R,5R)-1-benzyl-7-azatricyclo[3.2.0.02,6]heptan-7-yl]-4-morpholin-4-yl-1H-pyridin-2-one is O=c1cc(N2CCOCC2)cc(N2C3[C@H]4CC[C@H]3C42Cc2ccccc2)[nH]1.
What is the InChIKey of 6-[(2R,5R)-1-benzyl-7-azatricyclo[3.2.0.02,6]heptan-7-yl]-4-morpholin-4-yl-1H-pyridin-2-one?
The InChIKey is SHODJUZGQXOEML-NFAVZRQZSA-N. The full InChI is InChI=1S/C22H25N3O2/c26-20-13-16(24-8-10-27-11-9-24)12-19(23-20)25-21-17-6-7-18(21)22(17,25)14-15-4-2-1-3-5-15/h1-5,12-13,17-18,21H,6-11,14H2,(H,23,26)/t17-,18-,21?,22?/m1/s1.
What are the key properties of 6-[(2R,5R)-1-benzyl-7-azatricyclo[3.2.0.02,6]heptan-7-yl]-4-morpholin-4-yl-1H-pyridin-2-one?
6-[(2R,5R)-1-benzyl-7-azatricyclo[3.2.0.02,6]heptan-7-yl]-4-morpholin-4-yl-1H-pyridin-2-one has a molecular weight of 363.46 g/mol, XLogP of 2.42, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 6-[(2R,5R)-1-benzyl-7-azatricyclo[3.2.0.02,6]heptan-7-yl]-4-morpholin-4-yl-1H-pyridin-2-one is sourced from PubChem (CID 156533668), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).