1,5-dioxa-9-azaspiro[5.5]undecan-9-yl-(3-methoxy-1-methylpyrazol-4-yl)methanone

C14H21N3O4 — CID 71785108

IUPAC1,5-dioxa-9-azaspiro[5.5]undecan-9-yl-(3-methoxy-1-methylpyrazol-4-yl)methanone
SMILESCOc1nn(C)cc1C(=O)N1CCC2(CC1)OCCCO2
InChIInChI=1S/C14H21N3O4/c1-16-10-11(12(15-16)19-2)13(18)17-6-4-14(5-7-17)20-8-3-9-21-14/h10H,3-9H2,1-2H3
InChIKeyDXDCDRZLRCLZRX-UHFFFAOYSA-N
MW295.34 g/mol
LogP0.80
Rot. Bonds2

About 1,5-dioxa-9-azaspiro[5.5]undecan-9-yl-(3-methoxy-1-methylpyrazol-4-yl)methanone

1,5-dioxa-9-azaspiro[5.5]undecan-9-yl-(3-methoxy-1-methylpyrazol-4-yl)methanone (PubChem CID 71785108) has the molecular formula C14H21N3O4 and a molecular weight of 295.34 g/mol. Its IUPAC name is 1,5-dioxa-9-azaspiro[5.5]undecan-9-yl-(3-methoxy-1-methylpyrazol-4-yl)methanone.

Molecular Properties

Compound Name1,5-dioxa-9-azaspiro[5.5]undecan-9-yl-(3-methoxy-1-methylpyrazol-4-yl)methanone
PubChem CID71785108
Molecular FormulaC14H21N3O4
Molecular Weight295.34 g/mol
Exact Mass295.15
IUPAC Name1,5-dioxa-9-azaspiro[5.5]undecan-9-yl-(3-methoxy-1-methylpyrazol-4-yl)methanone
SMILESCOc1nn(C)cc1C(=O)N1CCC2(CC1)OCCCO2
InChIInChI=1S/C14H21N3O4/c1-16-10-11(12(15-16)19-2)13(18)17-6-4-14(5-7-17)20-8-3-9-21-14/h10H,3-9H2,1-2H3
InChIKeyDXDCDRZLRCLZRX-UHFFFAOYSA-N
XLogP0.80
TPSA65.82 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds2
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500295.34
LogP ≤ 50.80
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of 1,5-dioxa-9-azaspiro[5.5]undecan-9-yl-(3-methoxy-1-methylpyrazol-4-yl)methanone?
The IUPAC name of 1,5-dioxa-9-azaspiro[5.5]undecan-9-yl-(3-methoxy-1-methylpyrazol-4-yl)methanone (CID 71785108) is 1,5-dioxa-9-azaspiro[5.5]undecan-9-yl-(3-methoxy-1-methylpyrazol-4-yl)methanone.
What is the SMILES notation for 1,5-dioxa-9-azaspiro[5.5]undecan-9-yl-(3-methoxy-1-methylpyrazol-4-yl)methanone?
The canonical SMILES for 1,5-dioxa-9-azaspiro[5.5]undecan-9-yl-(3-methoxy-1-methylpyrazol-4-yl)methanone is COc1nn(C)cc1C(=O)N1CCC2(CC1)OCCCO2.
What is the InChIKey of 1,5-dioxa-9-azaspiro[5.5]undecan-9-yl-(3-methoxy-1-methylpyrazol-4-yl)methanone?
The InChIKey is DXDCDRZLRCLZRX-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H21N3O4/c1-16-10-11(12(15-16)19-2)13(18)17-6-4-14(5-7-17)20-8-3-9-21-14/h10H,3-9H2,1-2H3.
What are the key properties of 1,5-dioxa-9-azaspiro[5.5]undecan-9-yl-(3-methoxy-1-methylpyrazol-4-yl)methanone?
1,5-dioxa-9-azaspiro[5.5]undecan-9-yl-(3-methoxy-1-methylpyrazol-4-yl)methanone has a molecular weight of 295.34 g/mol, XLogP of 0.80, 2 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 1,5-dioxa-9-azaspiro[5.5]undecan-9-yl-(3-methoxy-1-methylpyrazol-4-yl)methanone is sourced from PubChem (CID 71785108), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).