6-[(3R)-3-(2-methoxybenzoyl)piperidine-1-carbonyl]-2,2-dimethyl-3H-pyran-4-one

C21H25NO5 — CID 25376808

IUPAC6-[(3R)-3-(2-methoxybenzoyl)piperidine-1-carbonyl]-2,2-dimethyl-3H-pyran-4-one
SMILESCOc1ccccc1C(=O)[C@@H]1CCCN(C(=O)C2=CC(=O)CC(C)(C)O2)C1
InChIInChI=1S/C21H25NO5/c1-21(2)12-15(23)11-18(27-21)20(25)22-10-6-7-14(13-22)19(24)16-8-4-5-9-17(16)26-3/h4-5,8-9,11,14H,6-7,10,12-13H2,1-3H3/t14-/m1/s1
InChIKeyCDUUQEIXJYCLIY-CQSZACIVSA-N
MW371.43 g/mol
LogP2.77
Rot. Bonds4

About 6-[(3R)-3-(2-methoxybenzoyl)piperidine-1-carbonyl]-2,2-dimethyl-3H-pyran-4-one

6-[(3R)-3-(2-methoxybenzoyl)piperidine-1-carbonyl]-2,2-dimethyl-3H-pyran-4-one (PubChem CID 25376808) has the molecular formula C21H25NO5 and a molecular weight of 371.43 g/mol. Its IUPAC name is 6-[(3R)-3-(2-methoxybenzoyl)piperidine-1-carbonyl]-2,2-dimethyl-3H-pyran-4-one.

Molecular Properties

Compound Name6-[(3R)-3-(2-methoxybenzoyl)piperidine-1-carbonyl]-2,2-dimethyl-3H-pyran-4-one
PubChem CID25376808
Molecular FormulaC21H25NO5
Molecular Weight371.43 g/mol
Exact Mass371.17
IUPAC Name6-[(3R)-3-(2-methoxybenzoyl)piperidine-1-carbonyl]-2,2-dimethyl-3H-pyran-4-one
SMILESCOc1ccccc1C(=O)[C@@H]1CCCN(C(=O)C2=CC(=O)CC(C)(C)O2)C1
InChIInChI=1S/C21H25NO5/c1-21(2)12-15(23)11-18(27-21)20(25)22-10-6-7-14(13-22)19(24)16-8-4-5-9-17(16)26-3/h4-5,8-9,11,14H,6-7,10,12-13H2,1-3H3/t14-/m1/s1
InChIKeyCDUUQEIXJYCLIY-CQSZACIVSA-N
XLogP2.77
TPSA72.91 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500371.43
LogP ≤ 52.77
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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Related Compounds

6-[(3S)-3-(2,5-difluorobenzoyl)piperidine-1-carbonyl]-2,2-dimethyl-3H-pyran-4-one
CID 25280511
[(3S)-1-(2,3-dimethoxybenzoyl)piperidin-3-yl]-(2-methoxyphenyl)methanone
CID 95725717
tert-butyl 3-(2-methoxybenzoyl)piperidine-1-carboxylate
CID 122200687
1-[(3S)-3-(2-methoxybenzoyl)piperidin-1-yl]-2-(2-methoxyphenoxy)ethanone
CID 95711262
[1-(2-methoxybenzoyl)piperidin-3-yl]-(4-methoxyphenyl)methanone
CID 110394690
(2-methoxyphenyl)-[1-(quinoxaline-5-carbonyl)piperidin-3-yl]methanone
CID 45180688
(4-chlorophenyl)-[1-(2-methoxybenzoyl)piperidin-3-yl]methanone
CID 110289388
cyclooctyl-(2-methoxyphenyl)methanone
CID 80602820
(2-methoxyphenyl)-[1-(1-propan-2-ylpyrazole-4-carbonyl)piperidin-3-yl]methanone
CID 24817693
methyl 4-[[(3R)-3-(2-methoxybenzoyl)piperidine-1-carbonyl]amino]benzoate
CID 42394704
[1-[2-(dimethylamino)benzoyl]piperidin-3-yl]-(5-fluoro-2-methoxyphenyl)methanone
CID 24791060
3-[4-(2-methoxybenzoyl)piperazine-1-carbonyl]piperidine-1-carboxamide
CID 70720977

Frequently Asked Questions

What is the IUPAC name of 6-[(3R)-3-(2-methoxybenzoyl)piperidine-1-carbonyl]-2,2-dimethyl-3H-pyran-4-one?
The IUPAC name of 6-[(3R)-3-(2-methoxybenzoyl)piperidine-1-carbonyl]-2,2-dimethyl-3H-pyran-4-one (CID 25376808) is 6-[(3R)-3-(2-methoxybenzoyl)piperidine-1-carbonyl]-2,2-dimethyl-3H-pyran-4-one.
What is the SMILES notation for 6-[(3R)-3-(2-methoxybenzoyl)piperidine-1-carbonyl]-2,2-dimethyl-3H-pyran-4-one?
The canonical SMILES for 6-[(3R)-3-(2-methoxybenzoyl)piperidine-1-carbonyl]-2,2-dimethyl-3H-pyran-4-one is COc1ccccc1C(=O)[C@@H]1CCCN(C(=O)C2=CC(=O)CC(C)(C)O2)C1.
What is the InChIKey of 6-[(3R)-3-(2-methoxybenzoyl)piperidine-1-carbonyl]-2,2-dimethyl-3H-pyran-4-one?
The InChIKey is CDUUQEIXJYCLIY-CQSZACIVSA-N. The full InChI is InChI=1S/C21H25NO5/c1-21(2)12-15(23)11-18(27-21)20(25)22-10-6-7-14(13-22)19(24)16-8-4-5-9-17(16)26-3/h4-5,8-9,11,14H,6-7,10,12-13H2,1-3H3/t14-/m1/s1.
What are the key properties of 6-[(3R)-3-(2-methoxybenzoyl)piperidine-1-carbonyl]-2,2-dimethyl-3H-pyran-4-one?
6-[(3R)-3-(2-methoxybenzoyl)piperidine-1-carbonyl]-2,2-dimethyl-3H-pyran-4-one has a molecular weight of 371.43 g/mol, XLogP of 2.77, 4 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 6-[(3R)-3-(2-methoxybenzoyl)piperidine-1-carbonyl]-2,2-dimethyl-3H-pyran-4-one is sourced from PubChem (CID 25376808), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).