2-(5-fluoropyrimidin-2-yl)-7-(piperidin-1-ylmethyl)-5-oxa-2-azaspiro[3.5]nonane

C17H25FN4O — CID 133140517

IUPAC2-(5-fluoropyrimidin-2-yl)-7-(piperidin-1-ylmethyl)-5-oxa-2-azaspiro[3.5]nonane
SMILESFc1cnc(N2CC3(CCC(CN4CCCCC4)CO3)C2)nc1
InChIInChI=1S/C17H25FN4O/c18-15-8-19-16(20-9-15)22-12-17(13-22)5-4-14(11-23-17)10-21-6-2-1-3-7-21/h8-9,14H,1-7,10-13H2
InChIKeyIIUNDHKVXKWAHB-UHFFFAOYSA-N
MW320.41 g/mol
LogP2.09
Rot. Bonds3

About 2-(5-fluoropyrimidin-2-yl)-7-(piperidin-1-ylmethyl)-5-oxa-2-azaspiro[3.5]nonane

2-(5-fluoropyrimidin-2-yl)-7-(piperidin-1-ylmethyl)-5-oxa-2-azaspiro[3.5]nonane (PubChem CID 133140517) has the molecular formula C17H25FN4O and a molecular weight of 320.41 g/mol. Its IUPAC name is 2-(5-fluoropyrimidin-2-yl)-7-(piperidin-1-ylmethyl)-5-oxa-2-azaspiro[3.5]nonane.

Molecular Properties

Compound Name2-(5-fluoropyrimidin-2-yl)-7-(piperidin-1-ylmethyl)-5-oxa-2-azaspiro[3.5]nonane
PubChem CID133140517
Molecular FormulaC17H25FN4O
Molecular Weight320.41 g/mol
Exact Mass320.20
IUPAC Name2-(5-fluoropyrimidin-2-yl)-7-(piperidin-1-ylmethyl)-5-oxa-2-azaspiro[3.5]nonane
SMILESFc1cnc(N2CC3(CCC(CN4CCCCC4)CO3)C2)nc1
InChIInChI=1S/C17H25FN4O/c18-15-8-19-16(20-9-15)22-12-17(13-22)5-4-14(11-23-17)10-21-6-2-1-3-7-21/h8-9,14H,1-7,10-13H2
InChIKeyIIUNDHKVXKWAHB-UHFFFAOYSA-N
XLogP2.09
TPSA41.49 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500320.41
LogP ≤ 52.09
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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Related Compounds

4-[[2-(2-Methyloxan-2-yl)pyrimidin-5-yl]methyl]morpholine
CID 110118022
5-[[4-(2-Methoxyethyl)piperazin-1-yl]methyl]-2-(2-methyloxan-2-yl)pyrimidine
CID 110118038
2-[8-(5-Fluoropyrimidin-2-yl)-1-oxa-4,8-diazaspiro[5.5]undecan-4-yl]ethanol
CID 118743010
N-(5-fluoropyrimidin-2-yl)-9-(oxan-4-ylmethyl)-1-oxa-9-azaspiro[4.5]decan-3-amine
CID 131660511
8-(5-Fluoropyrimidin-2-yl)-3-morpholin-4-yl-1-oxa-8-azaspiro[4.5]decane
CID 131660931
5-Fluoro-2-[4-[1-[(1-methylazetidin-3-yl)methyl]piperidin-4-yl]oxypiperidin-1-yl]pyrimidine
CID 59506086
4-(2-Chloro-5-fluoropyrimidin-4-yl)-1-oxa-4-azaspiro[5.5]undecane
CID 172608427
5-fluoro-N-methyl-N-[(1-methylpiperidin-3-yl)methyl]-4-morpholin-4-ylpyrimidin-2-amine
CID 50950910
{(3S*,5R*)-5-[(dimethylamino)methyl]-1-[5-fluoro-4-(4-morpholinyl)-2-pyrimidinyl]-3-piperidinyl}methanol
CID 72849221
7-(5-Fluoro-4-morpholin-4-ylpyrimidin-2-yl)-2-oxa-7-azaspiro[4.5]decane
CID 72892272
5-fluoro-N,N-dimethyl-2-(6-oxa-9-azaspiro[4.5]dec-9-yl)pyrimidin-4-amine
CID 72913437
(5S)-9-(5-fluoro-4-morpholin-4-ylpyrimidin-2-yl)-2-oxa-9-azaspiro[4.5]decane
CID 97277959

Frequently Asked Questions

What is the IUPAC name of 2-(5-fluoropyrimidin-2-yl)-7-(piperidin-1-ylmethyl)-5-oxa-2-azaspiro[3.5]nonane?
The IUPAC name of 2-(5-fluoropyrimidin-2-yl)-7-(piperidin-1-ylmethyl)-5-oxa-2-azaspiro[3.5]nonane (CID 133140517) is 2-(5-fluoropyrimidin-2-yl)-7-(piperidin-1-ylmethyl)-5-oxa-2-azaspiro[3.5]nonane.
What is the SMILES notation for 2-(5-fluoropyrimidin-2-yl)-7-(piperidin-1-ylmethyl)-5-oxa-2-azaspiro[3.5]nonane?
The canonical SMILES for 2-(5-fluoropyrimidin-2-yl)-7-(piperidin-1-ylmethyl)-5-oxa-2-azaspiro[3.5]nonane is Fc1cnc(N2CC3(CCC(CN4CCCCC4)CO3)C2)nc1.
What is the InChIKey of 2-(5-fluoropyrimidin-2-yl)-7-(piperidin-1-ylmethyl)-5-oxa-2-azaspiro[3.5]nonane?
The InChIKey is IIUNDHKVXKWAHB-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H25FN4O/c18-15-8-19-16(20-9-15)22-12-17(13-22)5-4-14(11-23-17)10-21-6-2-1-3-7-21/h8-9,14H,1-7,10-13H2.
What are the key properties of 2-(5-fluoropyrimidin-2-yl)-7-(piperidin-1-ylmethyl)-5-oxa-2-azaspiro[3.5]nonane?
2-(5-fluoropyrimidin-2-yl)-7-(piperidin-1-ylmethyl)-5-oxa-2-azaspiro[3.5]nonane has a molecular weight of 320.41 g/mol, XLogP of 2.09, 3 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(5-fluoropyrimidin-2-yl)-7-(piperidin-1-ylmethyl)-5-oxa-2-azaspiro[3.5]nonane is sourced from PubChem (CID 133140517), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).