1,4-dioxa-8-azaspiro[4.5]decan-8-yl-[5-(3-methylpiperidine-1-carbonyl)-3-pyridinyl]methanone

C20H27N3O4 — CID 109106627

IUPAC1,4-dioxa-8-azaspiro[4.5]decan-8-yl-[5-(3-methylpiperidine-1-carbonyl)-3-pyridinyl]methanone
SMILESCC1CCCN(C(=O)c2cncc(C(=O)N3CCC4(CC3)OCCO4)c2)C1
InChIInChI=1S/C20H27N3O4/c1-15-3-2-6-23(14-15)19(25)17-11-16(12-21-13-17)18(24)22-7-4-20(5-8-22)26-9-10-27-20/h11-13,15H,2-10,14H2,1H3
InChIKeyHLMVXDYIGNNLCP-UHFFFAOYSA-N
MW373.45 g/mol
LogP1.93
Rot. Bonds2

About 1,4-dioxa-8-azaspiro[4.5]decan-8-yl-[5-(3-methylpiperidine-1-carbonyl)-3-pyridinyl]methanone

1,4-dioxa-8-azaspiro[4.5]decan-8-yl-[5-(3-methylpiperidine-1-carbonyl)-3-pyridinyl]methanone (PubChem CID 109106627) has the molecular formula C20H27N3O4 and a molecular weight of 373.45 g/mol. Its IUPAC name is 1,4-dioxa-8-azaspiro[4.5]decan-8-yl-[5-(3-methylpiperidine-1-carbonyl)-3-pyridinyl]methanone.

Molecular Properties

Compound Name1,4-dioxa-8-azaspiro[4.5]decan-8-yl-[5-(3-methylpiperidine-1-carbonyl)-3-pyridinyl]methanone
PubChem CID109106627
Molecular FormulaC20H27N3O4
Molecular Weight373.45 g/mol
Exact Mass373.20
IUPAC Name1,4-dioxa-8-azaspiro[4.5]decan-8-yl-[5-(3-methylpiperidine-1-carbonyl)-3-pyridinyl]methanone
SMILESCC1CCCN(C(=O)c2cncc(C(=O)N3CCC4(CC3)OCCO4)c2)C1
InChIInChI=1S/C20H27N3O4/c1-15-3-2-6-23(14-15)19(25)17-11-16(12-21-13-17)18(24)22-7-4-20(5-8-22)26-9-10-27-20/h11-13,15H,2-10,14H2,1H3
InChIKeyHLMVXDYIGNNLCP-UHFFFAOYSA-N
XLogP1.93
TPSA71.97 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds2
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500373.45
LogP ≤ 51.93
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

Analyze 1,4-dioxa-8-azaspiro[4.5]decan-8-yl-[5-(3-methylpiperidine-1-carbonyl)-3-pyridinyl]methanone with MolForge

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Related Compounds

(5-bromo-3-pyridinyl)-(3-methylpiperidin-1-yl)methanone
CID 23907944
(3-methylpiperidin-1-yl)-(5-piperidin-1-yl-3-pyridinyl)methanone
CID 109226519
(3-methylpiperidin-1-yl)-[5-(propan-2-ylamino)-3-pyridinyl]methanone
CID 109223439
1,4-dioxa-8-azaspiro[4.5]decan-8-yl-[5-(oxolan-2-ylmethylamino)-3-pyridinyl]methanone
CID 109228952
[3-(1,4-dioxa-8-azaspiro[4.5]decane-8-carbonyl)phenyl]-pyrrolidin-1-ylmethanone
CID 109051667
N-(4-methylphenyl)-5-(3-methylpiperidine-1-carbonyl)pyridine-3-carboxamide
CID 109107491
N-(3-chlorophenyl)-5-(3-methylpiperidine-1-carbonyl)pyridine-3-carboxamide
CID 109107515
1,4-dioxa-8-azaspiro[4.5]decan-8-yl-[2-(3-methylpiperidin-1-yl)pyrimidin-4-yl]methanone
CID 109310002
5-(1,4-dioxa-8-azaspiro[4.5]decane-8-carbonyl)-N-[(4-methylphenyl)methyl]pyridine-3-carboxamide
CID 109105272
[3-(3-methylpiperidine-1-carbonyl)phenyl]-piperidin-1-ylmethanone
CID 109052035
[5-[(5-methyl-1,2-oxazol-3-yl)amino]-3-pyridinyl]-(3-methylpiperidin-1-yl)methanone
CID 109240802
5-(3-methylpiperidine-1-carbonyl)-N-(1-phenylethyl)pyridine-3-carboxamide
CID 109105362

Frequently Asked Questions

What is the IUPAC name of 1,4-dioxa-8-azaspiro[4.5]decan-8-yl-[5-(3-methylpiperidine-1-carbonyl)-3-pyridinyl]methanone?
The IUPAC name of 1,4-dioxa-8-azaspiro[4.5]decan-8-yl-[5-(3-methylpiperidine-1-carbonyl)-3-pyridinyl]methanone (CID 109106627) is 1,4-dioxa-8-azaspiro[4.5]decan-8-yl-[5-(3-methylpiperidine-1-carbonyl)-3-pyridinyl]methanone.
What is the SMILES notation for 1,4-dioxa-8-azaspiro[4.5]decan-8-yl-[5-(3-methylpiperidine-1-carbonyl)-3-pyridinyl]methanone?
The canonical SMILES for 1,4-dioxa-8-azaspiro[4.5]decan-8-yl-[5-(3-methylpiperidine-1-carbonyl)-3-pyridinyl]methanone is CC1CCCN(C(=O)c2cncc(C(=O)N3CCC4(CC3)OCCO4)c2)C1.
What is the InChIKey of 1,4-dioxa-8-azaspiro[4.5]decan-8-yl-[5-(3-methylpiperidine-1-carbonyl)-3-pyridinyl]methanone?
The InChIKey is HLMVXDYIGNNLCP-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H27N3O4/c1-15-3-2-6-23(14-15)19(25)17-11-16(12-21-13-17)18(24)22-7-4-20(5-8-22)26-9-10-27-20/h11-13,15H,2-10,14H2,1H3.
What are the key properties of 1,4-dioxa-8-azaspiro[4.5]decan-8-yl-[5-(3-methylpiperidine-1-carbonyl)-3-pyridinyl]methanone?
1,4-dioxa-8-azaspiro[4.5]decan-8-yl-[5-(3-methylpiperidine-1-carbonyl)-3-pyridinyl]methanone has a molecular weight of 373.45 g/mol, XLogP of 1.93, 2 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 1,4-dioxa-8-azaspiro[4.5]decan-8-yl-[5-(3-methylpiperidine-1-carbonyl)-3-pyridinyl]methanone is sourced from PubChem (CID 109106627), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).