3-[1-(2-fluoropyridine-3-carbonyl)piperidin-4-yl]-1-oxa-3-azaspiro[4.5]decan-2-one

C19H24FN3O3 — CID 3834044

IUPAC3-[1-(2-fluoropyridine-3-carbonyl)piperidin-4-yl]-1-oxa-3-azaspiro[4.5]decan-2-one
SMILESO=C(c1cccnc1F)N1CCC(N2CC3(CCCCC3)OC2=O)CC1
InChIInChI=1S/C19H24FN3O3/c20-16-15(5-4-10-21-16)17(24)22-11-6-14(7-12-22)23-13-19(26-18(23)25)8-2-1-3-9-19/h4-5,10,14H,1-3,6-9,11-13H2
InChIKeyZYDAXOOZZKFABQ-UHFFFAOYSA-N
MW361.42 g/mol
LogP2.98
Rot. Bonds2

About 3-[1-(2-fluoropyridine-3-carbonyl)piperidin-4-yl]-1-oxa-3-azaspiro[4.5]decan-2-one

3-[1-(2-fluoropyridine-3-carbonyl)piperidin-4-yl]-1-oxa-3-azaspiro[4.5]decan-2-one (PubChem CID 3834044) has the molecular formula C19H24FN3O3 and a molecular weight of 361.42 g/mol. Its IUPAC name is 3-[1-(2-fluoropyridine-3-carbonyl)piperidin-4-yl]-1-oxa-3-azaspiro[4.5]decan-2-one.

Molecular Properties

Compound Name3-[1-(2-fluoropyridine-3-carbonyl)piperidin-4-yl]-1-oxa-3-azaspiro[4.5]decan-2-one
PubChem CID3834044
Molecular FormulaC19H24FN3O3
Molecular Weight361.42 g/mol
Exact Mass361.18
IUPAC Name3-[1-(2-fluoropyridine-3-carbonyl)piperidin-4-yl]-1-oxa-3-azaspiro[4.5]decan-2-one
SMILESO=C(c1cccnc1F)N1CCC(N2CC3(CCCCC3)OC2=O)CC1
InChIInChI=1S/C19H24FN3O3/c20-16-15(5-4-10-21-16)17(24)22-11-6-14(7-12-22)23-13-19(26-18(23)25)8-2-1-3-9-19/h4-5,10,14H,1-3,6-9,11-13H2
InChIKeyZYDAXOOZZKFABQ-UHFFFAOYSA-N
XLogP2.98
TPSA62.74 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500361.42
LogP ≤ 52.98
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': '2-halo_pyridine', 'substructure': 'N/A'}

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Related Compounds

3-[1-(5-bromothiophene-2-carbonyl)piperidin-4-yl]-1-oxa-3-azaspiro[4.5]decan-2-one
CID 5181192
methyl 6-[4-(2-oxo-1-oxa-3-azaspiro[4.5]decan-3-yl)piperidine-1-carbonyl]pyridine-3-carboxylate
CID 4586707
5-ethyl-3-[1-(2-fluoropyridine-3-carbonyl)piperidin-4-yl]-1,3-oxazolidin-2-one
CID 3710932
(2-fluoro-3-pyridinyl)-(4-methylpiperidin-1-yl)methanone
CID 107358377
3-[1-(1,3-dimethyl-4-propan-2-ylsulfanylpyrazolo[3,4-b]pyridine-5-carbonyl)piperidin-4-yl]-1-oxa-3-azaspiro[4.5]decan-2-one
CID 3824347
3-(2-fluoro-3-pyridinyl)-1-oxa-3-azaspiro[4.5]decan-2-one
CID 68761038
3-[1-[2-(2-phenylethenylsulfonyl)acetyl]piperidin-4-yl]-1-oxa-3-azaspiro[4.5]decan-2-one
CID 3534413
2-[1-(2-fluoropyridine-3-carbonyl)piperidin-4-yl]acetic acid
CID 114037536
(3-cyclopropyl-3-hydroxyazetidin-1-yl)-(2-fluoro-3-pyridinyl)methanone
CID 114037863
[2-oxo-2-[4-(2-oxo-1-oxa-3-azaspiro[4.5]decan-3-yl)piperidin-1-yl]ethyl] N,N-dimethylcarbamodithioate
CID 3759463
(2-fluoro-3-pyridinyl)-(3-methylpiperidin-1-yl)methanone
CID 107358404
1-(2-fluoropyridine-3-carbonyl)-1,4-diazepan-5-one
CID 114037699

Frequently Asked Questions

What is the IUPAC name of 3-[1-(2-fluoropyridine-3-carbonyl)piperidin-4-yl]-1-oxa-3-azaspiro[4.5]decan-2-one?
The IUPAC name of 3-[1-(2-fluoropyridine-3-carbonyl)piperidin-4-yl]-1-oxa-3-azaspiro[4.5]decan-2-one (CID 3834044) is 3-[1-(2-fluoropyridine-3-carbonyl)piperidin-4-yl]-1-oxa-3-azaspiro[4.5]decan-2-one.
What is the SMILES notation for 3-[1-(2-fluoropyridine-3-carbonyl)piperidin-4-yl]-1-oxa-3-azaspiro[4.5]decan-2-one?
The canonical SMILES for 3-[1-(2-fluoropyridine-3-carbonyl)piperidin-4-yl]-1-oxa-3-azaspiro[4.5]decan-2-one is O=C(c1cccnc1F)N1CCC(N2CC3(CCCCC3)OC2=O)CC1.
What is the InChIKey of 3-[1-(2-fluoropyridine-3-carbonyl)piperidin-4-yl]-1-oxa-3-azaspiro[4.5]decan-2-one?
The InChIKey is ZYDAXOOZZKFABQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H24FN3O3/c20-16-15(5-4-10-21-16)17(24)22-11-6-14(7-12-22)23-13-19(26-18(23)25)8-2-1-3-9-19/h4-5,10,14H,1-3,6-9,11-13H2.
What are the key properties of 3-[1-(2-fluoropyridine-3-carbonyl)piperidin-4-yl]-1-oxa-3-azaspiro[4.5]decan-2-one?
3-[1-(2-fluoropyridine-3-carbonyl)piperidin-4-yl]-1-oxa-3-azaspiro[4.5]decan-2-one has a molecular weight of 361.42 g/mol, XLogP of 2.98, 2 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[1-(2-fluoropyridine-3-carbonyl)piperidin-4-yl]-1-oxa-3-azaspiro[4.5]decan-2-one is sourced from PubChem (CID 3834044), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).