9-(6-methyl-4-oxopyran-2-carbonyl)-2-(oxolan-2-ylmethyl)-2,9-diazaspiro[5.5]undecan-3-one

C21H28N2O5 — CID 72939480

IUPAC9-(6-methyl-4-oxopyran-2-carbonyl)-2-(oxolan-2-ylmethyl)-2,9-diazaspiro[5.5]undecan-3-one
SMILESCc1cc(=O)cc(C(=O)N2CCC3(CCC(=O)N(CC4CCCO4)C3)CC2)o1
InChIInChI=1S/C21H28N2O5/c1-15-11-16(24)12-18(28-15)20(26)22-8-6-21(7-9-22)5-4-19(25)23(14-21)13-17-3-2-10-27-17/h11-12,17H,2-10,13-14H2,1H3
InChIKeyKXINGFNCTCUJJK-UHFFFAOYSA-N
MW388.46 g/mol
LogP1.97
Rot. Bonds3

About 9-(6-methyl-4-oxopyran-2-carbonyl)-2-(oxolan-2-ylmethyl)-2,9-diazaspiro[5.5]undecan-3-one

9-(6-methyl-4-oxopyran-2-carbonyl)-2-(oxolan-2-ylmethyl)-2,9-diazaspiro[5.5]undecan-3-one (PubChem CID 72939480) has the molecular formula C21H28N2O5 and a molecular weight of 388.46 g/mol. Its IUPAC name is 9-(6-methyl-4-oxopyran-2-carbonyl)-2-(oxolan-2-ylmethyl)-2,9-diazaspiro[5.5]undecan-3-one.

Molecular Properties

Compound Name9-(6-methyl-4-oxopyran-2-carbonyl)-2-(oxolan-2-ylmethyl)-2,9-diazaspiro[5.5]undecan-3-one
PubChem CID72939480
Molecular FormulaC21H28N2O5
Molecular Weight388.46 g/mol
Exact Mass388.20
IUPAC Name9-(6-methyl-4-oxopyran-2-carbonyl)-2-(oxolan-2-ylmethyl)-2,9-diazaspiro[5.5]undecan-3-one
SMILESCc1cc(=O)cc(C(=O)N2CCC3(CCC(=O)N(CC4CCCO4)C3)CC2)o1
InChIInChI=1S/C21H28N2O5/c1-15-11-16(24)12-18(28-15)20(26)22-8-6-21(7-9-22)5-4-19(25)23(14-21)13-17-3-2-10-27-17/h11-12,17H,2-10,13-14H2,1H3
InChIKeyKXINGFNCTCUJJK-UHFFFAOYSA-N
XLogP1.97
TPSA80.06 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500388.46
LogP ≤ 51.97
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

Analyze 9-(6-methyl-4-oxopyran-2-carbonyl)-2-(oxolan-2-ylmethyl)-2,9-diazaspiro[5.5]undecan-3-one with MolForge

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Related Compounds

2-(2-methoxyethyl)-8-[(5-methoxy-4-oxo-4H-pyran-2-yl)methyl]-2,8-diazaspiro[5.5]undecan-3-one
CID 70764885
2-butyl-8-[(5-methoxy-4-oxo-4H-pyran-2-yl)methyl]-2,8-diazaspiro[5.5]undecan-3-one
CID 70709100
2-cyclopentyl-8-[(5-methoxy-4-oxo-4H-pyran-2-yl)methyl]-2,8-diazaspiro[5.5]undecan-3-one
CID 70728353
9-[(5-methoxy-4-oxo-4H-pyran-2-yl)methyl]-2-(tetrahydrofuran-2-ylmethyl)-2,9-diazaspiro[5.5]undecan-3-one
CID 70742945
2-(3-hydroxypropyl)-9-[(6-methyl-4-oxo-4H-pyran-2-yl)carbonyl]-2,9-diazaspiro[5.5]undecan-3-one
CID 72839330
2-cyclopropyl-9-[(6-methyl-4-oxo-4H-pyran-2-yl)carbonyl]-2,9-diazaspiro[5.5]undecan-3-one
CID 72851046
7-(2-methoxyethyl)-2-[(6-methyl-4-oxo-4H-pyran-2-yl)carbonyl]-2,7-diazaspiro[4.5]decan-6-one
CID 72853412
3-{1-[(6-methyl-4-oxo-4H-pyran-2-yl)carbonyl]piperidin-4-yl}-N-(tetrahydrofuran-2-ylmethyl)propanamide
CID 72862698
2-isopropyl-9-[(6-methyl-4-oxo-4H-pyran-2-yl)carbonyl]-2,9-diazaspiro[5.5]undecan-3-one
CID 72866813
2-(2-hydroxypropyl)-9-[(5-methoxy-4-oxo-4H-pyran-2-yl)carbonyl]-2,9-diazaspiro[5.5]undecan-3-one
CID 72871144
2-[(6-methyl-4-oxo-4H-pyran-2-yl)carbonyl]-7-(tetrahydro-2H-pyran-4-yl)-2,7-diazaspiro[4.5]decan-6-one
CID 72879436
2-[3-(dimethylamino)propyl]-9-[(6-methyl-4-oxo-4H-pyran-2-yl)carbonyl]-2,9-diazaspiro[5.5]undecan-3-one
CID 72880630

Frequently Asked Questions

What is the IUPAC name of 9-(6-methyl-4-oxopyran-2-carbonyl)-2-(oxolan-2-ylmethyl)-2,9-diazaspiro[5.5]undecan-3-one?
The IUPAC name of 9-(6-methyl-4-oxopyran-2-carbonyl)-2-(oxolan-2-ylmethyl)-2,9-diazaspiro[5.5]undecan-3-one (CID 72939480) is 9-(6-methyl-4-oxopyran-2-carbonyl)-2-(oxolan-2-ylmethyl)-2,9-diazaspiro[5.5]undecan-3-one.
What is the SMILES notation for 9-(6-methyl-4-oxopyran-2-carbonyl)-2-(oxolan-2-ylmethyl)-2,9-diazaspiro[5.5]undecan-3-one?
The canonical SMILES for 9-(6-methyl-4-oxopyran-2-carbonyl)-2-(oxolan-2-ylmethyl)-2,9-diazaspiro[5.5]undecan-3-one is Cc1cc(=O)cc(C(=O)N2CCC3(CCC(=O)N(CC4CCCO4)C3)CC2)o1.
What is the InChIKey of 9-(6-methyl-4-oxopyran-2-carbonyl)-2-(oxolan-2-ylmethyl)-2,9-diazaspiro[5.5]undecan-3-one?
The InChIKey is KXINGFNCTCUJJK-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H28N2O5/c1-15-11-16(24)12-18(28-15)20(26)22-8-6-21(7-9-22)5-4-19(25)23(14-21)13-17-3-2-10-27-17/h11-12,17H,2-10,13-14H2,1H3.
What are the key properties of 9-(6-methyl-4-oxopyran-2-carbonyl)-2-(oxolan-2-ylmethyl)-2,9-diazaspiro[5.5]undecan-3-one?
9-(6-methyl-4-oxopyran-2-carbonyl)-2-(oxolan-2-ylmethyl)-2,9-diazaspiro[5.5]undecan-3-one has a molecular weight of 388.46 g/mol, XLogP of 1.97, 3 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 9-(6-methyl-4-oxopyran-2-carbonyl)-2-(oxolan-2-ylmethyl)-2,9-diazaspiro[5.5]undecan-3-one is sourced from PubChem (CID 72939480), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).