7-cyclopentyl-2-(5-methoxy-4-oxopyran-2-carbonyl)-2,7-diazaspiro[4.5]decan-6-one

C20H26N2O5 — CID 72853242

IUPAC7-cyclopentyl-2-(5-methoxy-4-oxopyran-2-carbonyl)-2,7-diazaspiro[4.5]decan-6-one
SMILESCOc1coc(C(=O)N2CCC3(CCCN(C4CCCC4)C3=O)C2)cc1=O
InChIInChI=1S/C20H26N2O5/c1-26-17-12-27-16(11-15(17)23)18(24)21-10-8-20(13-21)7-4-9-22(19(20)25)14-5-2-3-6-14/h11-12,14H,2-10,13H2,1H3
InChIKeyKQIWCZHJUWYFAB-UHFFFAOYSA-N
MW374.44 g/mol
LogP2.05
Rot. Bonds3

About 7-cyclopentyl-2-(5-methoxy-4-oxopyran-2-carbonyl)-2,7-diazaspiro[4.5]decan-6-one

7-cyclopentyl-2-(5-methoxy-4-oxopyran-2-carbonyl)-2,7-diazaspiro[4.5]decan-6-one (PubChem CID 72853242) has the molecular formula C20H26N2O5 and a molecular weight of 374.44 g/mol. Its IUPAC name is 7-cyclopentyl-2-(5-methoxy-4-oxopyran-2-carbonyl)-2,7-diazaspiro[4.5]decan-6-one.

Molecular Properties

Compound Name7-cyclopentyl-2-(5-methoxy-4-oxopyran-2-carbonyl)-2,7-diazaspiro[4.5]decan-6-one
PubChem CID72853242
Molecular FormulaC20H26N2O5
Molecular Weight374.44 g/mol
Exact Mass374.18
IUPAC Name7-cyclopentyl-2-(5-methoxy-4-oxopyran-2-carbonyl)-2,7-diazaspiro[4.5]decan-6-one
SMILESCOc1coc(C(=O)N2CCC3(CCCN(C4CCCC4)C3=O)C2)cc1=O
InChIInChI=1S/C20H26N2O5/c1-26-17-12-27-16(11-15(17)23)18(24)21-10-8-20(13-21)7-4-9-22(19(20)25)14-5-2-3-6-14/h11-12,14H,2-10,13H2,1H3
InChIKeyKQIWCZHJUWYFAB-UHFFFAOYSA-N
XLogP2.05
TPSA80.06 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500374.44
LogP ≤ 52.05
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 7-cyclopentyl-2-(5-methoxy-4-oxopyran-2-carbonyl)-2,7-diazaspiro[4.5]decan-6-one?
The IUPAC name of 7-cyclopentyl-2-(5-methoxy-4-oxopyran-2-carbonyl)-2,7-diazaspiro[4.5]decan-6-one (CID 72853242) is 7-cyclopentyl-2-(5-methoxy-4-oxopyran-2-carbonyl)-2,7-diazaspiro[4.5]decan-6-one.
What is the SMILES notation for 7-cyclopentyl-2-(5-methoxy-4-oxopyran-2-carbonyl)-2,7-diazaspiro[4.5]decan-6-one?
The canonical SMILES for 7-cyclopentyl-2-(5-methoxy-4-oxopyran-2-carbonyl)-2,7-diazaspiro[4.5]decan-6-one is COc1coc(C(=O)N2CCC3(CCCN(C4CCCC4)C3=O)C2)cc1=O.
What is the InChIKey of 7-cyclopentyl-2-(5-methoxy-4-oxopyran-2-carbonyl)-2,7-diazaspiro[4.5]decan-6-one?
The InChIKey is KQIWCZHJUWYFAB-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H26N2O5/c1-26-17-12-27-16(11-15(17)23)18(24)21-10-8-20(13-21)7-4-9-22(19(20)25)14-5-2-3-6-14/h11-12,14H,2-10,13H2,1H3.
What are the key properties of 7-cyclopentyl-2-(5-methoxy-4-oxopyran-2-carbonyl)-2,7-diazaspiro[4.5]decan-6-one?
7-cyclopentyl-2-(5-methoxy-4-oxopyran-2-carbonyl)-2,7-diazaspiro[4.5]decan-6-one has a molecular weight of 374.44 g/mol, XLogP of 2.05, 3 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 7-cyclopentyl-2-(5-methoxy-4-oxopyran-2-carbonyl)-2,7-diazaspiro[4.5]decan-6-one is sourced from PubChem (CID 72853242), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).