3-(2,4-dimethyl-6-oxopyran-3-carbonyl)-10-methyl-3,10-diazaspiro[5.6]dodecan-9-one

C19H26N2O4 — CID 56714078

IUPAC3-(2,4-dimethyl-6-oxopyran-3-carbonyl)-10-methyl-3,10-diazaspiro[5.6]dodecan-9-one
SMILESCc1cc(=O)oc(C)c1C(=O)N1CCC2(CCC(=O)N(C)CC2)CC1
InChIInChI=1S/C19H26N2O4/c1-13-12-16(23)25-14(2)17(13)18(24)21-10-7-19(8-11-21)5-4-15(22)20(3)9-6-19/h12H,4-11H2,1-3H3
InChIKeyMBUFARFAHNYERV-UHFFFAOYSA-N
MW346.43 g/mol
LogP2.12
Rot. Bonds1

About 3-(2,4-dimethyl-6-oxopyran-3-carbonyl)-10-methyl-3,10-diazaspiro[5.6]dodecan-9-one

3-(2,4-dimethyl-6-oxopyran-3-carbonyl)-10-methyl-3,10-diazaspiro[5.6]dodecan-9-one (PubChem CID 56714078) has the molecular formula C19H26N2O4 and a molecular weight of 346.43 g/mol. Its IUPAC name is 3-(2,4-dimethyl-6-oxopyran-3-carbonyl)-10-methyl-3,10-diazaspiro[5.6]dodecan-9-one.

Molecular Properties

Compound Name3-(2,4-dimethyl-6-oxopyran-3-carbonyl)-10-methyl-3,10-diazaspiro[5.6]dodecan-9-one
PubChem CID56714078
Molecular FormulaC19H26N2O4
Molecular Weight346.43 g/mol
Exact Mass346.19
IUPAC Name3-(2,4-dimethyl-6-oxopyran-3-carbonyl)-10-methyl-3,10-diazaspiro[5.6]dodecan-9-one
SMILESCc1cc(=O)oc(C)c1C(=O)N1CCC2(CCC(=O)N(C)CC2)CC1
InChIInChI=1S/C19H26N2O4/c1-13-12-16(23)25-14(2)17(13)18(24)21-10-7-19(8-11-21)5-4-15(22)20(3)9-6-19/h12H,4-11H2,1-3H3
InChIKeyMBUFARFAHNYERV-UHFFFAOYSA-N
XLogP2.12
TPSA70.83 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds1
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500346.43
LogP ≤ 52.12
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Related Compounds

5-(1,4-dioxa-8-azaspiro[4.5]decane-8-carbonyl)-4,6-dimethylpyran-2-one
CID 110699298
5-(azepane-1-carbonyl)-4,6-dimethylpyran-2-one
CID 918943
5-[9-[(4-fluorophenyl)methyl]-2,9-diazaspiro[4.5]decane-2-carbonyl]-4,6-dimethylpyran-2-one
CID 45224502
5-[(2R,6R)-2,6-dimethylmorpholine-4-carbonyl]-4,6-dimethylpyran-2-one
CID 930606
5-[4-(4-fluorophenyl)piperazine-1-carbonyl]-4,6-dimethylpyran-2-one
CID 950132
5-[(4R,5R)-4-hydroxy-7-azaspiro[4.5]decane-7-carbonyl]-4,6-dimethylpyran-2-one
CID 163316196
2-methyl-9-[3-(5-methylfuran-2-yl)benzoyl]-2,9-diazaspiro[5.5]undecan-3-one
CID 72861143
2-(2-methoxyethyl)-9-(2,4,6-trimethylbenzoyl)-2,9-diazaspiro[5.5]undecan-3-one
CID 72876264
9-(2,6-difluoro-4-methoxybenzoyl)-2-methyl-2,9-diazaspiro[5.5]undecan-3-one
CID 72935399
5-[2-[4-(2,4-dimethyl-6-oxopyran-3-carbonyl)piperazin-1-yl]ethyl]thiophene-2-carboxylic acid
CID 118142541
(2-methyl-2,8-diazaspiro[4.5]decan-8-yl)-(2,4,6-trimethylphenyl)methanone
CID 50949896
9-(3-hydroxy-2-methylbenzoyl)-2-methyl-2,9-diazaspiro[5.5]undecan-3-one
CID 72865625

Frequently Asked Questions

What is the IUPAC name of 3-(2,4-dimethyl-6-oxopyran-3-carbonyl)-10-methyl-3,10-diazaspiro[5.6]dodecan-9-one?
The IUPAC name of 3-(2,4-dimethyl-6-oxopyran-3-carbonyl)-10-methyl-3,10-diazaspiro[5.6]dodecan-9-one (CID 56714078) is 3-(2,4-dimethyl-6-oxopyran-3-carbonyl)-10-methyl-3,10-diazaspiro[5.6]dodecan-9-one.
What is the SMILES notation for 3-(2,4-dimethyl-6-oxopyran-3-carbonyl)-10-methyl-3,10-diazaspiro[5.6]dodecan-9-one?
The canonical SMILES for 3-(2,4-dimethyl-6-oxopyran-3-carbonyl)-10-methyl-3,10-diazaspiro[5.6]dodecan-9-one is Cc1cc(=O)oc(C)c1C(=O)N1CCC2(CCC(=O)N(C)CC2)CC1.
What is the InChIKey of 3-(2,4-dimethyl-6-oxopyran-3-carbonyl)-10-methyl-3,10-diazaspiro[5.6]dodecan-9-one?
The InChIKey is MBUFARFAHNYERV-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H26N2O4/c1-13-12-16(23)25-14(2)17(13)18(24)21-10-7-19(8-11-21)5-4-15(22)20(3)9-6-19/h12H,4-11H2,1-3H3.
What are the key properties of 3-(2,4-dimethyl-6-oxopyran-3-carbonyl)-10-methyl-3,10-diazaspiro[5.6]dodecan-9-one?
3-(2,4-dimethyl-6-oxopyran-3-carbonyl)-10-methyl-3,10-diazaspiro[5.6]dodecan-9-one has a molecular weight of 346.43 g/mol, XLogP of 2.12, 1 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(2,4-dimethyl-6-oxopyran-3-carbonyl)-10-methyl-3,10-diazaspiro[5.6]dodecan-9-one is sourced from PubChem (CID 56714078), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).