[(4R,5R)-4-methoxy-7-azaspiro[4.5]decan-7-yl]-[2-(3-methylphenyl)phenyl]methanone

C24H29NO2 — CID 164699427

IUPAC[(4R,5R)-4-methoxy-7-azaspiro[4.5]decan-7-yl]-[2-(3-methylphenyl)phenyl]methanone
SMILESCO[C@@H]1CCC[C@]12CCCN(C(=O)c1ccccc1-c1cccc(C)c1)C2
InChIInChI=1S/C24H29NO2/c1-18-8-5-9-19(16-18)20-10-3-4-11-21(20)23(26)25-15-7-14-24(17-25)13-6-12-22(24)27-2/h3-5,8-11,16,22H,6-7,12-15,17H2,1-2H3/t22-,24-/m1/s1
InChIKeyMFVCKRUBFBWIST-ISKFKSNPSA-N
MW363.50 g/mol
LogP5.08
Rot. Bonds3

About [(4R,5R)-4-methoxy-7-azaspiro[4.5]decan-7-yl]-[2-(3-methylphenyl)phenyl]methanone

[(4R,5R)-4-methoxy-7-azaspiro[4.5]decan-7-yl]-[2-(3-methylphenyl)phenyl]methanone (PubChem CID 164699427) has the molecular formula C24H29NO2 and a molecular weight of 363.50 g/mol. Its IUPAC name is [(4R,5R)-4-methoxy-7-azaspiro[4.5]decan-7-yl]-[2-(3-methylphenyl)phenyl]methanone.

Molecular Properties

Compound Name[(4R,5R)-4-methoxy-7-azaspiro[4.5]decan-7-yl]-[2-(3-methylphenyl)phenyl]methanone
PubChem CID164699427
Molecular FormulaC24H29NO2
Molecular Weight363.50 g/mol
Exact Mass363.22
IUPAC Name[(4R,5R)-4-methoxy-7-azaspiro[4.5]decan-7-yl]-[2-(3-methylphenyl)phenyl]methanone
SMILESCO[C@@H]1CCC[C@]12CCCN(C(=O)c1ccccc1-c1cccc(C)c1)C2
InChIInChI=1S/C24H29NO2/c1-18-8-5-9-19(16-18)20-10-3-4-11-21(20)23(26)25-15-7-14-24(17-25)13-6-12-22(24)27-2/h3-5,8-11,16,22H,6-7,12-15,17H2,1-2H3/t22-,24-/m1/s1
InChIKeyMFVCKRUBFBWIST-ISKFKSNPSA-N
XLogP5.08
TPSA29.54 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms27
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500363.50
LogP ≤ 55.08
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Analyze [(4R,5R)-4-methoxy-7-azaspiro[4.5]decan-7-yl]-[2-(3-methylphenyl)phenyl]methanone with MolForge

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Related Compounds

(9-methyl-1-oxa-4,9-diazaspiro[5.5]undecan-4-yl)-[2-(3-methylphenyl)phenyl]methanone
CID 138385530
(4R,5R)-4-methoxy-7-[[4-(3-methylphenyl)phenyl]methyl]-7-azaspiro[4.5]decane
CID 166619064
[(4R,5R)-4-methoxy-7-azaspiro[4.5]decan-7-yl]-(3-pyridin-2-yl-1H-pyrazol-5-yl)methanone
CID 164689714
6-ethyl-3-[(4R,5S)-4-methoxy-7-azaspiro[4.5]decane-7-carbonyl]-1,5-dimethylpyridin-2-one
CID 164697429
4-[(4R,5R)-4-methoxy-7-azaspiro[4.5]decane-7-carbonyl]-6-methyl-1H-pyridin-2-one
CID 164696636
[(4aS,8aS)-4a-(hydroxymethyl)-1-methyl-3,4,5,6,8,8a-hexahydro-2H-1,7-naphthyridin-7-yl]-[2-(3-methylphenyl)phenyl]methanone
CID 135120241
[(3aR,5R,6S,7aS)-5,6-dihydroxy-1,3,3a,4,5,6,7,7a-octahydroisoindol-2-yl]-[2-(3-methylphenyl)phenyl]methanone
CID 86286591
[(4R,5S)-4-methoxy-7-azaspiro[4.5]decan-7-yl]-(1,3,6-trimethylpyrazolo[3,4-b]pyridin-4-yl)methanone
CID 164690656
5-[(4R,5R)-4-methoxy-7-azaspiro[4.5]decane-7-carbonyl]-1H-pyridin-2-one
CID 164690443
(6-amino-3-pyridinyl)-[(4R,5R)-4-methoxy-7-azaspiro[4.5]decan-7-yl]methanone
CID 164699317
3-methyl-8-[2-(3-methylphenyl)benzoyl]-1-oxa-3,8-diazaspiro[4.5]decan-2-one
CID 70740003
6-methoxy-3-[(4R,5R)-4-methoxy-7-azaspiro[4.5]decane-7-carbonyl]-1H-quinolin-4-one
CID 135107741

Frequently Asked Questions

What is the IUPAC name of [(4R,5R)-4-methoxy-7-azaspiro[4.5]decan-7-yl]-[2-(3-methylphenyl)phenyl]methanone?
The IUPAC name of [(4R,5R)-4-methoxy-7-azaspiro[4.5]decan-7-yl]-[2-(3-methylphenyl)phenyl]methanone (CID 164699427) is [(4R,5R)-4-methoxy-7-azaspiro[4.5]decan-7-yl]-[2-(3-methylphenyl)phenyl]methanone.
What is the SMILES notation for [(4R,5R)-4-methoxy-7-azaspiro[4.5]decan-7-yl]-[2-(3-methylphenyl)phenyl]methanone?
The canonical SMILES for [(4R,5R)-4-methoxy-7-azaspiro[4.5]decan-7-yl]-[2-(3-methylphenyl)phenyl]methanone is CO[C@@H]1CCC[C@]12CCCN(C(=O)c1ccccc1-c1cccc(C)c1)C2.
What is the InChIKey of [(4R,5R)-4-methoxy-7-azaspiro[4.5]decan-7-yl]-[2-(3-methylphenyl)phenyl]methanone?
The InChIKey is MFVCKRUBFBWIST-ISKFKSNPSA-N. The full InChI is InChI=1S/C24H29NO2/c1-18-8-5-9-19(16-18)20-10-3-4-11-21(20)23(26)25-15-7-14-24(17-25)13-6-12-22(24)27-2/h3-5,8-11,16,22H,6-7,12-15,17H2,1-2H3/t22-,24-/m1/s1.
What are the key properties of [(4R,5R)-4-methoxy-7-azaspiro[4.5]decan-7-yl]-[2-(3-methylphenyl)phenyl]methanone?
[(4R,5R)-4-methoxy-7-azaspiro[4.5]decan-7-yl]-[2-(3-methylphenyl)phenyl]methanone has a molecular weight of 363.50 g/mol, XLogP of 5.08, 3 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for [(4R,5R)-4-methoxy-7-azaspiro[4.5]decan-7-yl]-[2-(3-methylphenyl)phenyl]methanone is sourced from PubChem (CID 164699427), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).