2-butyl-8-[(5-methoxy-4-oxopyran-2-yl)methyl]-2,8-diazaspiro[5.5]undecan-3-one

C20H30N2O4 — CID 70709100

IUPAC2-butyl-8-[(5-methoxy-4-oxopyran-2-yl)methyl]-2,8-diazaspiro[5.5]undecan-3-one
SMILESCCCCN1CC2(CCCN(Cc3cc(=O)c(OC)co3)C2)CCC1=O
InChIInChI=1S/C20H30N2O4/c1-3-4-10-22-15-20(8-6-19(22)24)7-5-9-21(14-20)12-16-11-17(23)18(25-2)13-26-16/h11,13H,3-10,12,14-15H2,1-2H3
InChIKeyNTZQBEFKRWKWEX-UHFFFAOYSA-N
MW362.47 g/mol
LogP2.65
Rot. Bonds6

About 2-butyl-8-[(5-methoxy-4-oxopyran-2-yl)methyl]-2,8-diazaspiro[5.5]undecan-3-one

2-butyl-8-[(5-methoxy-4-oxopyran-2-yl)methyl]-2,8-diazaspiro[5.5]undecan-3-one (PubChem CID 70709100) has the molecular formula C20H30N2O4 and a molecular weight of 362.47 g/mol. Its IUPAC name is 2-butyl-8-[(5-methoxy-4-oxopyran-2-yl)methyl]-2,8-diazaspiro[5.5]undecan-3-one.

Molecular Properties

Compound Name2-butyl-8-[(5-methoxy-4-oxopyran-2-yl)methyl]-2,8-diazaspiro[5.5]undecan-3-one
PubChem CID70709100
Molecular FormulaC20H30N2O4
Molecular Weight362.47 g/mol
Exact Mass362.22
IUPAC Name2-butyl-8-[(5-methoxy-4-oxopyran-2-yl)methyl]-2,8-diazaspiro[5.5]undecan-3-one
SMILESCCCCN1CC2(CCCN(Cc3cc(=O)c(OC)co3)C2)CCC1=O
InChIInChI=1S/C20H30N2O4/c1-3-4-10-22-15-20(8-6-19(22)24)7-5-9-21(14-20)12-16-11-17(23)18(25-2)13-26-16/h11,13H,3-10,12,14-15H2,1-2H3
InChIKeyNTZQBEFKRWKWEX-UHFFFAOYSA-N
XLogP2.65
TPSA62.99 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500362.47
LogP ≤ 52.65
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

Analyze 2-butyl-8-[(5-methoxy-4-oxopyran-2-yl)methyl]-2,8-diazaspiro[5.5]undecan-3-one with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

2-(cyclopropylmethyl)-8-[(5-methoxy-4-oxo-4H-pyran-2-yl)methyl]-2,8-diazaspiro[5.5]undecan-3-one
CID 70738396
2-cyclopropyl-8-[(5-methoxy-4-oxo-4H-pyran-2-yl)methyl]-2,8-diazaspiro[5.5]undecan-3-one
CID 70739646
2-(2-methoxyethyl)-8-[(5-methoxy-4-oxo-4H-pyran-2-yl)methyl]-2,8-diazaspiro[5.5]undecan-3-one
CID 70764885
(4aS*,8aR*)-1-(3-methylbutyl)-6-[(6-methyl-4-oxo-4H-pyran-2-yl)carbonyl]octahydro-1,6-naphthyridin-2(1H)-one
CID 70714216
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
8-[(4-Hydroxy-5-methoxy-2-pyridinyl)methyl]-2-(2-methoxyethyl)-2,8-diazaspiro[5.5]undecan-3-one
CID 70775767
2-(3-hydroxypropyl)-9-[(6-methyl-4-oxo-4H-pyran-2-yl)carbonyl]-2,9-diazaspiro[5.5]undecan-3-one
CID 72839330
7-(2-hydroxyethyl)-2-[(5-methoxy-4-oxo-4H-pyran-2-yl)methyl]-2,7-diazaspiro[4.5]decan-6-one
CID 72842964
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
2-isopropyl-9-[(6-methyl-4-oxo-4H-pyran-2-yl)carbonyl]-2,9-diazaspiro[5.5]undecan-3-one
CID 72866813

Frequently Asked Questions

What is the IUPAC name of 2-butyl-8-[(5-methoxy-4-oxopyran-2-yl)methyl]-2,8-diazaspiro[5.5]undecan-3-one?
The IUPAC name of 2-butyl-8-[(5-methoxy-4-oxopyran-2-yl)methyl]-2,8-diazaspiro[5.5]undecan-3-one (CID 70709100) is 2-butyl-8-[(5-methoxy-4-oxopyran-2-yl)methyl]-2,8-diazaspiro[5.5]undecan-3-one.
What is the SMILES notation for 2-butyl-8-[(5-methoxy-4-oxopyran-2-yl)methyl]-2,8-diazaspiro[5.5]undecan-3-one?
The canonical SMILES for 2-butyl-8-[(5-methoxy-4-oxopyran-2-yl)methyl]-2,8-diazaspiro[5.5]undecan-3-one is CCCCN1CC2(CCCN(Cc3cc(=O)c(OC)co3)C2)CCC1=O.
What is the InChIKey of 2-butyl-8-[(5-methoxy-4-oxopyran-2-yl)methyl]-2,8-diazaspiro[5.5]undecan-3-one?
The InChIKey is NTZQBEFKRWKWEX-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H30N2O4/c1-3-4-10-22-15-20(8-6-19(22)24)7-5-9-21(14-20)12-16-11-17(23)18(25-2)13-26-16/h11,13H,3-10,12,14-15H2,1-2H3.
What are the key properties of 2-butyl-8-[(5-methoxy-4-oxopyran-2-yl)methyl]-2,8-diazaspiro[5.5]undecan-3-one?
2-butyl-8-[(5-methoxy-4-oxopyran-2-yl)methyl]-2,8-diazaspiro[5.5]undecan-3-one has a molecular weight of 362.47 g/mol, XLogP of 2.65, 6 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-butyl-8-[(5-methoxy-4-oxopyran-2-yl)methyl]-2,8-diazaspiro[5.5]undecan-3-one is sourced from PubChem (CID 70709100), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).