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

C20H22FN3O3 — CID 113014066

IUPACN-[6-(1,4-dioxa-8-azaspiro[4.5]decan-8-yl)-3-pyridinyl]-2-(4-fluorophenyl)acetamide
SMILESO=C(Cc1ccc(F)cc1)Nc1ccc(N2CCC3(CC2)OCCO3)nc1
InChIInChI=1S/C20H22FN3O3/c21-16-3-1-15(2-4-16)13-19(25)23-17-5-6-18(22-14-17)24-9-7-20(8-10-24)26-11-12-27-20/h1-6,14H,7-13H2,(H,23,25)
InChIKeySBCPXLFMBCHFMO-UHFFFAOYSA-N
MW371.41 g/mol
LogP2.75
Rot. Bonds4

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

N-[6-(1,4-dioxa-8-azaspiro[4.5]decan-8-yl)-3-pyridinyl]-2-(4-fluorophenyl)acetamide (PubChem CID 113014066) has the molecular formula C20H22FN3O3 and a molecular weight of 371.41 g/mol. Its IUPAC name is N-[6-(1,4-dioxa-8-azaspiro[4.5]decan-8-yl)-3-pyridinyl]-2-(4-fluorophenyl)acetamide.

Molecular Properties

Compound NameN-[6-(1,4-dioxa-8-azaspiro[4.5]decan-8-yl)-3-pyridinyl]-2-(4-fluorophenyl)acetamide
PubChem CID113014066
Molecular FormulaC20H22FN3O3
Molecular Weight371.41 g/mol
Exact Mass371.16
IUPAC NameN-[6-(1,4-dioxa-8-azaspiro[4.5]decan-8-yl)-3-pyridinyl]-2-(4-fluorophenyl)acetamide
SMILESO=C(Cc1ccc(F)cc1)Nc1ccc(N2CCC3(CC2)OCCO3)nc1
InChIInChI=1S/C20H22FN3O3/c21-16-3-1-15(2-4-16)13-19(25)23-17-5-6-18(22-14-17)24-9-7-20(8-10-24)26-11-12-27-20/h1-6,14H,7-13H2,(H,23,25)
InChIKeySBCPXLFMBCHFMO-UHFFFAOYSA-N
XLogP2.75
TPSA63.69 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500371.41
LogP ≤ 52.75
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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

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Related Compounds

2-(4-chlorophenyl)-N-[6-(1,4-dioxa-8-azaspiro[4.5]decan-8-yl)-3-pyridinyl]acetamide
CID 113014067
N-[6-(1,4-dioxa-8-azaspiro[4.5]decan-8-yl)-3-pyridinyl]acetamide
CID 113014035
2-(4-fluorophenyl)-N-[6-(4-pyrimidin-2-ylpiperazin-1-yl)-3-pyridinyl]acetamide
CID 113014545
N-[6-(4-ethylpiperazin-1-yl)-3-pyridinyl]-2-(4-fluorophenyl)acetamide
CID 11530247
2-(4-fluorophenyl)-N-[6-(4-formylpiperazin-1-yl)-3-pyridinyl]acetamide
CID 113011137
N-[6-(1,4-dioxa-8-azaspiro[4.5]decan-8-yl)-3-pyridinyl]-2-(4-methylphenoxy)acetamide
CID 113014078
4-chloro-N-[6-(1,4-dioxa-8-azaspiro[4.5]decan-8-yl)-3-pyridinyl]benzamide
CID 113014074
2-(3,4-dichlorophenyl)-N-(6-morpholin-4-yl-3-pyridinyl)acetamide
CID 17453496
2-[2-(4-fluorophenyl)-1,3-thiazol-4-yl]-N-(6-morpholin-4-yl-3-pyridinyl)acetamide
CID 17497154
2-(4-fluorophenyl)-N-[6-[4-[(2-methoxyphenyl)methyl]piperazin-1-yl]-3-pyridinyl]acetamide
CID 42857339
2-(4-chlorophenyl)-N-[6-(4-methylpiperazin-1-yl)-3-pyridinyl]acetamide
CID 17444414
N-(6-pyrrolidin-1-yl-3-pyridinyl)-2-[4-(trifluoromethoxy)phenyl]acetamide
CID 55746212

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-fluorophenyl)acetamide?
The IUPAC name of N-[6-(1,4-dioxa-8-azaspiro[4.5]decan-8-yl)-3-pyridinyl]-2-(4-fluorophenyl)acetamide (CID 113014066) is N-[6-(1,4-dioxa-8-azaspiro[4.5]decan-8-yl)-3-pyridinyl]-2-(4-fluorophenyl)acetamide.
What is the SMILES notation for N-[6-(1,4-dioxa-8-azaspiro[4.5]decan-8-yl)-3-pyridinyl]-2-(4-fluorophenyl)acetamide?
The canonical SMILES for N-[6-(1,4-dioxa-8-azaspiro[4.5]decan-8-yl)-3-pyridinyl]-2-(4-fluorophenyl)acetamide is O=C(Cc1ccc(F)cc1)Nc1ccc(N2CCC3(CC2)OCCO3)nc1.
What is the InChIKey of N-[6-(1,4-dioxa-8-azaspiro[4.5]decan-8-yl)-3-pyridinyl]-2-(4-fluorophenyl)acetamide?
The InChIKey is SBCPXLFMBCHFMO-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H22FN3O3/c21-16-3-1-15(2-4-16)13-19(25)23-17-5-6-18(22-14-17)24-9-7-20(8-10-24)26-11-12-27-20/h1-6,14H,7-13H2,(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-fluorophenyl)acetamide?
N-[6-(1,4-dioxa-8-azaspiro[4.5]decan-8-yl)-3-pyridinyl]-2-(4-fluorophenyl)acetamide has a molecular weight of 371.41 g/mol, XLogP of 2.75, 4 rotatable bonds, 1 hydrogen bond donors, and 5 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-fluorophenyl)acetamide is sourced from PubChem (CID 113014066), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).