N-[2-[2-(5-fluoropyrimidin-2-yl)-5-oxa-2-azaspiro[3.4]octan-8-yl]ethyl]pyrrolidine-1-carboxamide

C17H24FN5O2 — CID 131653399

IUPACN-[2-[2-(5-fluoropyrimidin-2-yl)-5-oxa-2-azaspiro[3.4]octan-8-yl]ethyl]pyrrolidine-1-carboxamide
SMILESO=C(NCCC1CCOC12CN(c1ncc(F)cn1)C2)N1CCCC1
InChIInChI=1S/C17H24FN5O2/c18-14-9-20-15(21-10-14)23-11-17(12-23)13(4-8-25-17)3-5-19-16(24)22-6-1-2-7-22/h9-10,13H,1-8,11-12H2,(H,19,24)
InChIKeyDIOUFZVAKZSABH-UHFFFAOYSA-N
MW349.41 g/mol
LogP1.41
Rot. Bonds4

About N-[2-[2-(5-fluoropyrimidin-2-yl)-5-oxa-2-azaspiro[3.4]octan-8-yl]ethyl]pyrrolidine-1-carboxamide

N-[2-[2-(5-fluoropyrimidin-2-yl)-5-oxa-2-azaspiro[3.4]octan-8-yl]ethyl]pyrrolidine-1-carboxamide (PubChem CID 131653399) has the molecular formula C17H24FN5O2 and a molecular weight of 349.41 g/mol. Its IUPAC name is N-[2-[2-(5-fluoropyrimidin-2-yl)-5-oxa-2-azaspiro[3.4]octan-8-yl]ethyl]pyrrolidine-1-carboxamide.

Molecular Properties

Compound NameN-[2-[2-(5-fluoropyrimidin-2-yl)-5-oxa-2-azaspiro[3.4]octan-8-yl]ethyl]pyrrolidine-1-carboxamide
PubChem CID131653399
Molecular FormulaC17H24FN5O2
Molecular Weight349.41 g/mol
Exact Mass349.19
IUPAC NameN-[2-[2-(5-fluoropyrimidin-2-yl)-5-oxa-2-azaspiro[3.4]octan-8-yl]ethyl]pyrrolidine-1-carboxamide
SMILESO=C(NCCC1CCOC12CN(c1ncc(F)cn1)C2)N1CCCC1
InChIInChI=1S/C17H24FN5O2/c18-14-9-20-15(21-10-14)23-11-17(12-23)13(4-8-25-17)3-5-19-16(24)22-6-1-2-7-22/h9-10,13H,1-8,11-12H2,(H,19,24)
InChIKeyDIOUFZVAKZSABH-UHFFFAOYSA-N
XLogP1.41
TPSA70.59 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500349.41
LogP ≤ 51.41
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

[(3R,5R)-3-[(5-fluoropyrimidin-2-yl)amino]-1-oxa-9-azaspiro[4.5]decan-9-yl]-pyrrolidin-1-ylmethanone
CID 97371858
[(3S,5R)-3-[(5-fluoropyrimidin-2-yl)amino]-1-oxa-9-azaspiro[4.5]decan-9-yl]-pyrrolidin-1-ylmethanone
CID 97371859
[(3R,5S)-3-[(5-fluoropyrimidin-2-yl)amino]-1-oxa-9-azaspiro[4.5]decan-9-yl]-pyrrolidin-1-ylmethanone
CID 97371860
[(3S,5S)-3-[(5-fluoropyrimidin-2-yl)amino]-1-oxa-9-azaspiro[4.5]decan-9-yl]-pyrrolidin-1-ylmethanone
CID 97371861
(3S,5S)-3-[(5-fluoropyrimidin-2-yl)amino]-N,N-dimethyl-1-oxa-9-azaspiro[4.5]decane-9-carboxamide
CID 97489470
(3S,5R)-3-[(5-fluoropyrimidin-2-yl)amino]-N,N-dimethyl-1-oxa-9-azaspiro[4.5]decane-9-carboxamide
CID 97489472
(3R,5S)-3-[(5-fluoropyrimidin-2-yl)amino]-N,N-dimethyl-1-oxa-9-azaspiro[4.5]decane-9-carboxamide
CID 97489475
(3R,5R)-3-[(5-fluoropyrimidin-2-yl)amino]-N,N-dimethyl-1-oxa-9-azaspiro[4.5]decane-9-carboxamide
CID 97489476
(3S,5S)-3-[(5-fluoropyrimidin-2-yl)amino]-N-propan-2-yl-1-oxa-9-azaspiro[4.5]decane-9-carboxamide
CID 97489496
(3S,5R)-3-[(5-fluoropyrimidin-2-yl)amino]-N-propan-2-yl-1-oxa-9-azaspiro[4.5]decane-9-carboxamide
CID 97489498
(3R,5S)-3-[(5-fluoropyrimidin-2-yl)amino]-N-propan-2-yl-1-oxa-9-azaspiro[4.5]decane-9-carboxamide
CID 97489499
(3R,5R)-3-[(5-fluoropyrimidin-2-yl)amino]-N-propan-2-yl-1-oxa-9-azaspiro[4.5]decane-9-carboxamide
CID 97489500

Frequently Asked Questions

What is the IUPAC name of N-[2-[2-(5-fluoropyrimidin-2-yl)-5-oxa-2-azaspiro[3.4]octan-8-yl]ethyl]pyrrolidine-1-carboxamide?
The IUPAC name of N-[2-[2-(5-fluoropyrimidin-2-yl)-5-oxa-2-azaspiro[3.4]octan-8-yl]ethyl]pyrrolidine-1-carboxamide (CID 131653399) is N-[2-[2-(5-fluoropyrimidin-2-yl)-5-oxa-2-azaspiro[3.4]octan-8-yl]ethyl]pyrrolidine-1-carboxamide.
What is the SMILES notation for N-[2-[2-(5-fluoropyrimidin-2-yl)-5-oxa-2-azaspiro[3.4]octan-8-yl]ethyl]pyrrolidine-1-carboxamide?
The canonical SMILES for N-[2-[2-(5-fluoropyrimidin-2-yl)-5-oxa-2-azaspiro[3.4]octan-8-yl]ethyl]pyrrolidine-1-carboxamide is O=C(NCCC1CCOC12CN(c1ncc(F)cn1)C2)N1CCCC1.
What is the InChIKey of N-[2-[2-(5-fluoropyrimidin-2-yl)-5-oxa-2-azaspiro[3.4]octan-8-yl]ethyl]pyrrolidine-1-carboxamide?
The InChIKey is DIOUFZVAKZSABH-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H24FN5O2/c18-14-9-20-15(21-10-14)23-11-17(12-23)13(4-8-25-17)3-5-19-16(24)22-6-1-2-7-22/h9-10,13H,1-8,11-12H2,(H,19,24).
What are the key properties of N-[2-[2-(5-fluoropyrimidin-2-yl)-5-oxa-2-azaspiro[3.4]octan-8-yl]ethyl]pyrrolidine-1-carboxamide?
N-[2-[2-(5-fluoropyrimidin-2-yl)-5-oxa-2-azaspiro[3.4]octan-8-yl]ethyl]pyrrolidine-1-carboxamide has a molecular weight of 349.41 g/mol, XLogP of 1.41, 4 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-[2-(5-fluoropyrimidin-2-yl)-5-oxa-2-azaspiro[3.4]octan-8-yl]ethyl]pyrrolidine-1-carboxamide is sourced from PubChem (CID 131653399), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).