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

C19H26N2O5 — CID 72839330

IUPAC2-(3-hydroxypropyl)-9-(6-methyl-4-oxopyran-2-carbonyl)-2,9-diazaspiro[5.5]undecan-3-one
SMILESCc1cc(=O)cc(C(=O)N2CCC3(CCC(=O)N(CCCO)C3)CC2)o1
InChIInChI=1S/C19H26N2O5/c1-14-11-15(23)12-16(26-14)18(25)20-8-5-19(6-9-20)4-3-17(24)21(13-19)7-2-10-22/h11-12,22H,2-10,13H2,1H3
InChIKeyWYDOOBLFVVKKMX-UHFFFAOYSA-N
MW362.43 g/mol
LogP1.18
Rot. Bonds4

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

2-(3-hydroxypropyl)-9-(6-methyl-4-oxopyran-2-carbonyl)-2,9-diazaspiro[5.5]undecan-3-one (PubChem CID 72839330) has the molecular formula C19H26N2O5 and a molecular weight of 362.43 g/mol. Its IUPAC name is 2-(3-hydroxypropyl)-9-(6-methyl-4-oxopyran-2-carbonyl)-2,9-diazaspiro[5.5]undecan-3-one.

Molecular Properties

Compound Name2-(3-hydroxypropyl)-9-(6-methyl-4-oxopyran-2-carbonyl)-2,9-diazaspiro[5.5]undecan-3-one
PubChem CID72839330
Molecular FormulaC19H26N2O5
Molecular Weight362.43 g/mol
Exact Mass362.18
IUPAC Name2-(3-hydroxypropyl)-9-(6-methyl-4-oxopyran-2-carbonyl)-2,9-diazaspiro[5.5]undecan-3-one
SMILESCc1cc(=O)cc(C(=O)N2CCC3(CCC(=O)N(CCCO)C3)CC2)o1
InChIInChI=1S/C19H26N2O5/c1-14-11-15(23)12-16(26-14)18(25)20-8-5-19(6-9-20)4-3-17(24)21(13-19)7-2-10-22/h11-12,22H,2-10,13H2,1H3
InChIKeyWYDOOBLFVVKKMX-UHFFFAOYSA-N
XLogP1.18
TPSA91.06 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500362.43
LogP ≤ 51.18
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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

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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
2-{[4-hydroxy-3,3-dimethyl-4-(morpholin-4-ylmethyl)piperidin-1-yl]carbonyl}-6-methyl-4H-pyran-4-one
CID 72881781
2-[[4-[2-(4-Ethylpiperazin-1-yl)-2-oxoethyl]piperidin-1-yl]methyl]-5-hydroxypyran-4-one
CID 60332300
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-(hydroxymethyl)-3-propylpiperidin-1-yl]carbonyl}-6-methyl-4H-pyran-4-one
CID 70754945
1-[[1-[(5-Hydroxy-4-oxopyran-2-yl)methyl]piperidin-4-yl]methyl]piperidin-2-one
CID 71868984
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

Frequently Asked Questions

What is the IUPAC name of 2-(3-hydroxypropyl)-9-(6-methyl-4-oxopyran-2-carbonyl)-2,9-diazaspiro[5.5]undecan-3-one?
The IUPAC name of 2-(3-hydroxypropyl)-9-(6-methyl-4-oxopyran-2-carbonyl)-2,9-diazaspiro[5.5]undecan-3-one (CID 72839330) is 2-(3-hydroxypropyl)-9-(6-methyl-4-oxopyran-2-carbonyl)-2,9-diazaspiro[5.5]undecan-3-one.
What is the SMILES notation for 2-(3-hydroxypropyl)-9-(6-methyl-4-oxopyran-2-carbonyl)-2,9-diazaspiro[5.5]undecan-3-one?
The canonical SMILES for 2-(3-hydroxypropyl)-9-(6-methyl-4-oxopyran-2-carbonyl)-2,9-diazaspiro[5.5]undecan-3-one is Cc1cc(=O)cc(C(=O)N2CCC3(CCC(=O)N(CCCO)C3)CC2)o1.
What is the InChIKey of 2-(3-hydroxypropyl)-9-(6-methyl-4-oxopyran-2-carbonyl)-2,9-diazaspiro[5.5]undecan-3-one?
The InChIKey is WYDOOBLFVVKKMX-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H26N2O5/c1-14-11-15(23)12-16(26-14)18(25)20-8-5-19(6-9-20)4-3-17(24)21(13-19)7-2-10-22/h11-12,22H,2-10,13H2,1H3.
What are the key properties of 2-(3-hydroxypropyl)-9-(6-methyl-4-oxopyran-2-carbonyl)-2,9-diazaspiro[5.5]undecan-3-one?
2-(3-hydroxypropyl)-9-(6-methyl-4-oxopyran-2-carbonyl)-2,9-diazaspiro[5.5]undecan-3-one has a molecular weight of 362.43 g/mol, XLogP of 1.18, 4 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(3-hydroxypropyl)-9-(6-methyl-4-oxopyran-2-carbonyl)-2,9-diazaspiro[5.5]undecan-3-one is sourced from PubChem (CID 72839330), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).