N-[6-(1,4-dioxa-8-azaspiro[4.5]decan-8-yl)-3-pyridinyl]-2-(4-methylphenoxy)acetamide

C21H25N3O4 — CID 113014078

IUPACN-[6-(1,4-dioxa-8-azaspiro[4.5]decan-8-yl)-3-pyridinyl]-2-(4-methylphenoxy)acetamide
SMILESCc1ccc(OCC(=O)Nc2ccc(N3CCC4(CC3)OCCO4)nc2)cc1
InChIInChI=1S/C21H25N3O4/c1-16-2-5-18(6-3-16)26-15-20(25)23-17-4-7-19(22-14-17)24-10-8-21(9-11-24)27-12-13-28-21/h2-7,14H,8-13,15H2,1H3,(H,23,25)
InChIKeyFZYRPRAQAFTDBA-UHFFFAOYSA-N
MW383.45 g/mol
LogP2.75
Rot. Bonds5

About N-[6-(1,4-dioxa-8-azaspiro[4.5]decan-8-yl)-3-pyridinyl]-2-(4-methylphenoxy)acetamide

N-[6-(1,4-dioxa-8-azaspiro[4.5]decan-8-yl)-3-pyridinyl]-2-(4-methylphenoxy)acetamide (PubChem CID 113014078) has the molecular formula C21H25N3O4 and a molecular weight of 383.45 g/mol. Its IUPAC name is N-[6-(1,4-dioxa-8-azaspiro[4.5]decan-8-yl)-3-pyridinyl]-2-(4-methylphenoxy)acetamide.

Molecular Properties

Compound NameN-[6-(1,4-dioxa-8-azaspiro[4.5]decan-8-yl)-3-pyridinyl]-2-(4-methylphenoxy)acetamide
PubChem CID113014078
Molecular FormulaC21H25N3O4
Molecular Weight383.45 g/mol
Exact Mass383.18
IUPAC NameN-[6-(1,4-dioxa-8-azaspiro[4.5]decan-8-yl)-3-pyridinyl]-2-(4-methylphenoxy)acetamide
SMILESCc1ccc(OCC(=O)Nc2ccc(N3CCC4(CC3)OCCO4)nc2)cc1
InChIInChI=1S/C21H25N3O4/c1-16-2-5-18(6-3-16)26-15-20(25)23-17-4-7-19(22-14-17)24-10-8-21(9-11-24)27-12-13-28-21/h2-7,14H,8-13,15H2,1H3,(H,23,25)
InChIKeyFZYRPRAQAFTDBA-UHFFFAOYSA-N
XLogP2.75
TPSA72.92 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds5
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500383.45
LogP ≤ 52.75
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

Analyze N-[6-(1,4-dioxa-8-azaspiro[4.5]decan-8-yl)-3-pyridinyl]-2-(4-methylphenoxy)acetamide with MolForge

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Related Compounds

N-[6-(1,4-dioxa-8-azaspiro[4.5]decan-8-yl)-3-pyridinyl]acetamide
CID 113014035
N-[6-(1,4-dioxa-8-azaspiro[4.5]decan-8-yl)-3-pyridinyl]-2-(4-fluorophenyl)acetamide
CID 113014066
2-(4-chlorophenyl)-N-[6-(1,4-dioxa-8-azaspiro[4.5]decan-8-yl)-3-pyridinyl]acetamide
CID 113014067
2-(4-cyanophenoxy)-N-(6-morpholin-4-yl-3-pyridinyl)acetamide
CID 17457103
8-(5-methyl-2-pyridinyl)-1,4-dioxa-8-azaspiro[4.5]decane
CID 79026576
8-(5-methoxy-2-pyridinyl)-1,4-dioxa-8-azaspiro[4.5]decane
CID 113236174
2-(4-methylphenoxy)-N-[4-(6-morpholin-4-ylpyridazin-3-yl)phenyl]acetamide
CID 43992749
1-(1,4-dioxa-8-azaspiro[4.5]decan-8-yl)-2-(4-methylphenoxy)ethanone
CID 110755929
N-[6-(2,3-dihydroindol-1-yl)-3-pyridinyl]-2-(4-methylphenoxy)acetamide
CID 113016604
4-chloro-N-[6-(1,4-dioxa-8-azaspiro[4.5]decan-8-yl)-3-pyridinyl]benzamide
CID 113014074
2-(2-methoxy-4-methylphenoxy)-N-(6-morpholin-4-yl-3-pyridinyl)acetamide
CID 55501091
2-(4-phenylmethoxyphenoxy)-N-(6-pyrrolidin-1-yl-3-pyridinyl)acetamide
CID 134035859

Frequently Asked Questions

What is the IUPAC name of N-[6-(1,4-dioxa-8-azaspiro[4.5]decan-8-yl)-3-pyridinyl]-2-(4-methylphenoxy)acetamide?
The IUPAC name of N-[6-(1,4-dioxa-8-azaspiro[4.5]decan-8-yl)-3-pyridinyl]-2-(4-methylphenoxy)acetamide (CID 113014078) is N-[6-(1,4-dioxa-8-azaspiro[4.5]decan-8-yl)-3-pyridinyl]-2-(4-methylphenoxy)acetamide.
What is the SMILES notation for N-[6-(1,4-dioxa-8-azaspiro[4.5]decan-8-yl)-3-pyridinyl]-2-(4-methylphenoxy)acetamide?
The canonical SMILES for N-[6-(1,4-dioxa-8-azaspiro[4.5]decan-8-yl)-3-pyridinyl]-2-(4-methylphenoxy)acetamide is Cc1ccc(OCC(=O)Nc2ccc(N3CCC4(CC3)OCCO4)nc2)cc1.
What is the InChIKey of N-[6-(1,4-dioxa-8-azaspiro[4.5]decan-8-yl)-3-pyridinyl]-2-(4-methylphenoxy)acetamide?
The InChIKey is FZYRPRAQAFTDBA-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H25N3O4/c1-16-2-5-18(6-3-16)26-15-20(25)23-17-4-7-19(22-14-17)24-10-8-21(9-11-24)27-12-13-28-21/h2-7,14H,8-13,15H2,1H3,(H,23,25).
What are the key properties of N-[6-(1,4-dioxa-8-azaspiro[4.5]decan-8-yl)-3-pyridinyl]-2-(4-methylphenoxy)acetamide?
N-[6-(1,4-dioxa-8-azaspiro[4.5]decan-8-yl)-3-pyridinyl]-2-(4-methylphenoxy)acetamide has a molecular weight of 383.45 g/mol, XLogP of 2.75, 5 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N-[6-(1,4-dioxa-8-azaspiro[4.5]decan-8-yl)-3-pyridinyl]-2-(4-methylphenoxy)acetamide is sourced from PubChem (CID 113014078), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).