(8-methyl-1,12-dioxa-4,8-diazaspiro[5.6]dodecan-4-yl)-pyridin-3-ylmethanone

C15H21N3O3 — CID 172884571

IUPAC(8-methyl-1,12-dioxa-4,8-diazaspiro[5.6]dodecan-4-yl)-pyridin-3-ylmethanone
SMILESCN1CCCOC2(C1)CN(C(=O)c1cccnc1)CCO2
InChIInChI=1S/C15H21N3O3/c1-17-6-3-8-20-15(11-17)12-18(7-9-21-15)14(19)13-4-2-5-16-10-13/h2,4-5,10H,3,6-9,11-12H2,1H3
InChIKeySBZWGSLWAPVPIW-UHFFFAOYSA-N
MW291.35 g/mol
LogP0.60
Rot. Bonds1

About (8-methyl-1,12-dioxa-4,8-diazaspiro[5.6]dodecan-4-yl)-pyridin-3-ylmethanone

(8-methyl-1,12-dioxa-4,8-diazaspiro[5.6]dodecan-4-yl)-pyridin-3-ylmethanone (PubChem CID 172884571) has the molecular formula C15H21N3O3 and a molecular weight of 291.35 g/mol. Its IUPAC name is (8-methyl-1,12-dioxa-4,8-diazaspiro[5.6]dodecan-4-yl)-pyridin-3-ylmethanone.

Molecular Properties

Compound Name(8-methyl-1,12-dioxa-4,8-diazaspiro[5.6]dodecan-4-yl)-pyridin-3-ylmethanone
PubChem CID172884571
Molecular FormulaC15H21N3O3
Molecular Weight291.35 g/mol
Exact Mass291.16
IUPAC Name(8-methyl-1,12-dioxa-4,8-diazaspiro[5.6]dodecan-4-yl)-pyridin-3-ylmethanone
SMILESCN1CCCOC2(C1)CN(C(=O)c1cccnc1)CCO2
InChIInChI=1S/C15H21N3O3/c1-17-6-3-8-20-15(11-17)12-18(7-9-21-15)14(19)13-4-2-5-16-10-13/h2,4-5,10H,3,6-9,11-12H2,1H3
InChIKeySBZWGSLWAPVPIW-UHFFFAOYSA-N
XLogP0.60
TPSA54.90 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds1
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500291.35
LogP ≤ 50.60
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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Related Compounds

[8-[(1-methylpyrazol-4-yl)methyl]-1,12-dioxa-4,8-diazaspiro[5.6]dodecan-4-yl]-pyridin-3-ylmethanone
CID 172884584
[(6R)-4-methyl-1,11-dioxa-4,8-diazaspiro[5.6]dodecan-8-yl]-pyridin-3-ylmethanone
CID 97494589
[8-(4,4-difluorocyclohexyl)-1,12-dioxa-4,8-diazaspiro[5.6]dodecan-4-yl]-pyridin-3-ylmethanone
CID 172884464
[8-[(3-fluoro-4-pyridinyl)methyl]-1,12-dioxa-4,8-diazaspiro[5.6]dodecan-4-yl]-pyridin-3-ylmethanone
CID 172884578
6-oxa-9-azaspiro[4.5]decan-9-yl(pyridin-3-yl)methanone
CID 97232335
[4-(1-methylpyrazole-4-carbonyl)-1,7-dioxa-4,10-diazaspiro[5.5]undecan-10-yl]-pyridin-4-ylmethanone
CID 171318412
2-azaspiro[5.5]undecan-2-yl(pyridin-3-yl)methanone
CID 54582941
[9-(5-methylpyrimidin-2-yl)-1-oxa-4,9-diazaspiro[5.5]undecan-4-yl]-pyridin-3-ylmethanone
CID 97450891
[(4S,5R)-4-(methoxymethyl)-6-oxa-9-azaspiro[4.5]decan-9-yl]-pyridin-3-ylmethanone
CID 97452420
(3-hydroxy-3-methylpiperidin-1-yl)-pyridin-3-ylmethanone
CID 115875110
(1-methylpyrazol-4-yl)-[4-(1,3-thiazole-2-carbonyl)-1,12-dioxa-4,8-diazaspiro[5.6]dodecan-8-yl]methanone
CID 172884495
[4-(2-morpholin-4-ylethyl)piperazin-1-yl]-pyridin-3-ylmethanone
CID 113073695

Frequently Asked Questions

What is the IUPAC name of (8-methyl-1,12-dioxa-4,8-diazaspiro[5.6]dodecan-4-yl)-pyridin-3-ylmethanone?
The IUPAC name of (8-methyl-1,12-dioxa-4,8-diazaspiro[5.6]dodecan-4-yl)-pyridin-3-ylmethanone (CID 172884571) is (8-methyl-1,12-dioxa-4,8-diazaspiro[5.6]dodecan-4-yl)-pyridin-3-ylmethanone.
What is the SMILES notation for (8-methyl-1,12-dioxa-4,8-diazaspiro[5.6]dodecan-4-yl)-pyridin-3-ylmethanone?
The canonical SMILES for (8-methyl-1,12-dioxa-4,8-diazaspiro[5.6]dodecan-4-yl)-pyridin-3-ylmethanone is CN1CCCOC2(C1)CN(C(=O)c1cccnc1)CCO2.
What is the InChIKey of (8-methyl-1,12-dioxa-4,8-diazaspiro[5.6]dodecan-4-yl)-pyridin-3-ylmethanone?
The InChIKey is SBZWGSLWAPVPIW-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H21N3O3/c1-17-6-3-8-20-15(11-17)12-18(7-9-21-15)14(19)13-4-2-5-16-10-13/h2,4-5,10H,3,6-9,11-12H2,1H3.
What are the key properties of (8-methyl-1,12-dioxa-4,8-diazaspiro[5.6]dodecan-4-yl)-pyridin-3-ylmethanone?
(8-methyl-1,12-dioxa-4,8-diazaspiro[5.6]dodecan-4-yl)-pyridin-3-ylmethanone has a molecular weight of 291.35 g/mol, XLogP of 0.60, 1 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for (8-methyl-1,12-dioxa-4,8-diazaspiro[5.6]dodecan-4-yl)-pyridin-3-ylmethanone is sourced from PubChem (CID 172884571), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).