(6R)-8-(3-fluoro-2-pyridinyl)-N-propan-2-yl-1-oxa-4,8-diazaspiro[5.5]undecane-4-carboxamide

C17H25FN4O2 — CID 97492112

IUPAC(6R)-8-(3-fluoro-2-pyridinyl)-N-propan-2-yl-1-oxa-4,8-diazaspiro[5.5]undecane-4-carboxamide
SMILESCC(C)NC(=O)N1CCO[C@@]2(CCCN(c3ncccc3F)C2)C1
InChIInChI=1S/C17H25FN4O2/c1-13(2)20-16(23)22-9-10-24-17(12-22)6-4-8-21(11-17)15-14(18)5-3-7-19-15/h3,5,7,13H,4,6,8-12H2,1-2H3,(H,20,23)/t17-/m1/s1
InChIKeyQJIHNRAEOWNAPG-QGZVFWFLSA-N
MW336.41 g/mol
LogP2.01
Rot. Bonds2

About (6R)-8-(3-fluoro-2-pyridinyl)-N-propan-2-yl-1-oxa-4,8-diazaspiro[5.5]undecane-4-carboxamide

(6R)-8-(3-fluoro-2-pyridinyl)-N-propan-2-yl-1-oxa-4,8-diazaspiro[5.5]undecane-4-carboxamide (PubChem CID 97492112) has the molecular formula C17H25FN4O2 and a molecular weight of 336.41 g/mol. Its IUPAC name is (6R)-8-(3-fluoro-2-pyridinyl)-N-propan-2-yl-1-oxa-4,8-diazaspiro[5.5]undecane-4-carboxamide.

Molecular Properties

Compound Name(6R)-8-(3-fluoro-2-pyridinyl)-N-propan-2-yl-1-oxa-4,8-diazaspiro[5.5]undecane-4-carboxamide
PubChem CID97492112
Molecular FormulaC17H25FN4O2
Molecular Weight336.41 g/mol
Exact Mass336.20
IUPAC Name(6R)-8-(3-fluoro-2-pyridinyl)-N-propan-2-yl-1-oxa-4,8-diazaspiro[5.5]undecane-4-carboxamide
SMILESCC(C)NC(=O)N1CCO[C@@]2(CCCN(c3ncccc3F)C2)C1
InChIInChI=1S/C17H25FN4O2/c1-13(2)20-16(23)22-9-10-24-17(12-22)6-4-8-21(11-17)15-14(18)5-3-7-19-15/h3,5,7,13H,4,6,8-12H2,1-2H3,(H,20,23)/t17-/m1/s1
InChIKeyQJIHNRAEOWNAPG-QGZVFWFLSA-N
XLogP2.01
TPSA57.70 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500336.41
LogP ≤ 52.01
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Analyze (6R)-8-(3-fluoro-2-pyridinyl)-N-propan-2-yl-1-oxa-4,8-diazaspiro[5.5]undecane-4-carboxamide with MolForge

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Related Compounds

(6R)-N-propan-2-yl-8-pyrimidin-2-yl-1-oxa-4,8-diazaspiro[5.5]undecane-4-carboxamide
CID 97492184
11-(3-fluoro-2-pyridinyl)-N-propan-2-yl-8-oxa-2,11-diazaspiro[5.6]dodecane-2-carboxamide
CID 134070416
[(6S)-8-(3-fluoro-2-pyridinyl)-1-oxa-4,8-diazaspiro[5.5]undecan-4-yl]-(1H-pyrrol-2-yl)methanone
CID 97492105
[(6R)-8-(3-fluoro-2-pyridinyl)-1-oxa-4,8-diazaspiro[5.5]undecan-4-yl]-pyrazin-2-ylmethanone
CID 97492101
(6R)-8-(3-fluorophenyl)-N-propan-2-yl-1-oxa-4,8-diazaspiro[5.5]undecane-4-carboxamide
CID 97491976
(6R)-8-(3-fluoro-2-pyridinyl)-4-pyridin-2-yl-1-oxa-4,8-diazaspiro[5.5]undecane
CID 97396447
(6S)-8-(3-fluoro-2-pyridinyl)-4-pyrazin-2-yl-1-oxa-4,8-diazaspiro[5.5]undecane
CID 97396446
(6S)-8-(3-fluoro-2-pyridinyl)-4-[(3-methylimidazol-4-yl)methyl]-1-oxa-4,8-diazaspiro[5.5]undecane
CID 97492090
(6R)-8-(3-fluoro-2-pyridinyl)-4-[(3-methylimidazol-4-yl)methyl]-1-oxa-4,8-diazaspiro[5.5]undecane
CID 97492089
8-(3-fluoro-2-pyridinyl)-4-[(2-methyl-1,3-thiazol-4-yl)methyl]-1-oxa-4,8-diazaspiro[5.5]undecane
CID 131640278
N-[1-(2,3-difluorophenyl)ethyl]-1,9-dioxa-4-azaspiro[5.5]undecane-4-carboxamide
CID 126767564
N-propan-2-yl-1-oxa-7-azaspiro[4.4]nonane-7-carboxamide
CID 118739092

Frequently Asked Questions

What is the IUPAC name of (6R)-8-(3-fluoro-2-pyridinyl)-N-propan-2-yl-1-oxa-4,8-diazaspiro[5.5]undecane-4-carboxamide?
The IUPAC name of (6R)-8-(3-fluoro-2-pyridinyl)-N-propan-2-yl-1-oxa-4,8-diazaspiro[5.5]undecane-4-carboxamide (CID 97492112) is (6R)-8-(3-fluoro-2-pyridinyl)-N-propan-2-yl-1-oxa-4,8-diazaspiro[5.5]undecane-4-carboxamide.
What is the SMILES notation for (6R)-8-(3-fluoro-2-pyridinyl)-N-propan-2-yl-1-oxa-4,8-diazaspiro[5.5]undecane-4-carboxamide?
The canonical SMILES for (6R)-8-(3-fluoro-2-pyridinyl)-N-propan-2-yl-1-oxa-4,8-diazaspiro[5.5]undecane-4-carboxamide is CC(C)NC(=O)N1CCO[C@@]2(CCCN(c3ncccc3F)C2)C1.
What is the InChIKey of (6R)-8-(3-fluoro-2-pyridinyl)-N-propan-2-yl-1-oxa-4,8-diazaspiro[5.5]undecane-4-carboxamide?
The InChIKey is QJIHNRAEOWNAPG-QGZVFWFLSA-N. The full InChI is InChI=1S/C17H25FN4O2/c1-13(2)20-16(23)22-9-10-24-17(12-22)6-4-8-21(11-17)15-14(18)5-3-7-19-15/h3,5,7,13H,4,6,8-12H2,1-2H3,(H,20,23)/t17-/m1/s1.
What are the key properties of (6R)-8-(3-fluoro-2-pyridinyl)-N-propan-2-yl-1-oxa-4,8-diazaspiro[5.5]undecane-4-carboxamide?
(6R)-8-(3-fluoro-2-pyridinyl)-N-propan-2-yl-1-oxa-4,8-diazaspiro[5.5]undecane-4-carboxamide has a molecular weight of 336.41 g/mol, XLogP of 2.01, 2 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (6R)-8-(3-fluoro-2-pyridinyl)-N-propan-2-yl-1-oxa-4,8-diazaspiro[5.5]undecane-4-carboxamide is sourced from PubChem (CID 97492112), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).