(5S,9S)-2-(cyclopropylmethyl)-N-(3,3-difluorocyclobutyl)-2-azaspiro[4.4]nonane-9-carboxamide

C17H26F2N2O — CID 98895299

IUPAC(5S,9S)-2-(cyclopropylmethyl)-N-(3,3-difluorocyclobutyl)-2-azaspiro[4.4]nonane-9-carboxamide
SMILESO=C(NC1CC(F)(F)C1)[C@H]1CCC[C@]12CCN(CC1CC1)C2
InChIInChI=1S/C17H26F2N2O/c18-17(19)8-13(9-17)20-15(22)14-2-1-5-16(14)6-7-21(11-16)10-12-3-4-12/h12-14H,1-11H2,(H,20,22)/t14-,16-/m1/s1
InChIKeyAQOWBEHWOXOZHV-GDBMZVCRSA-N
MW312.40 g/mol
LogP2.80
Rot. Bonds4

About (5S,9S)-2-(cyclopropylmethyl)-N-(3,3-difluorocyclobutyl)-2-azaspiro[4.4]nonane-9-carboxamide

(5S,9S)-2-(cyclopropylmethyl)-N-(3,3-difluorocyclobutyl)-2-azaspiro[4.4]nonane-9-carboxamide (PubChem CID 98895299) has the molecular formula C17H26F2N2O and a molecular weight of 312.40 g/mol. Its IUPAC name is (5S,9S)-2-(cyclopropylmethyl)-N-(3,3-difluorocyclobutyl)-2-azaspiro[4.4]nonane-9-carboxamide.

Molecular Properties

Compound Name(5S,9S)-2-(cyclopropylmethyl)-N-(3,3-difluorocyclobutyl)-2-azaspiro[4.4]nonane-9-carboxamide
PubChem CID98895299
Molecular FormulaC17H26F2N2O
Molecular Weight312.40 g/mol
Exact Mass312.20
IUPAC Name(5S,9S)-2-(cyclopropylmethyl)-N-(3,3-difluorocyclobutyl)-2-azaspiro[4.4]nonane-9-carboxamide
SMILESO=C(NC1CC(F)(F)C1)[C@H]1CCC[C@]12CCN(CC1CC1)C2
InChIInChI=1S/C17H26F2N2O/c18-17(19)8-13(9-17)20-15(22)14-2-1-5-16(14)6-7-21(11-16)10-12-3-4-12/h12-14H,1-11H2,(H,20,22)/t14-,16-/m1/s1
InChIKeyAQOWBEHWOXOZHV-GDBMZVCRSA-N
XLogP2.80
TPSA32.34 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500312.40
LogP ≤ 52.80
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Analyze (5S,9S)-2-(cyclopropylmethyl)-N-(3,3-difluorocyclobutyl)-2-azaspiro[4.4]nonane-9-carboxamide with MolForge

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Related Compounds

(5S,9R)-2-(cyclopentylmethyl)-N-(3,3-difluorocyclobutyl)-2-azaspiro[4.4]nonane-9-carboxamide
CID 98895205
(5S,9S)-2-(cyclopentylmethyl)-N-(3,3-difluorocyclobutyl)-2-azaspiro[4.4]nonane-9-carboxamide
CID 98895206
(5R,9R)-2-(cyclopentylmethyl)-N-(3,3-difluorocyclobutyl)-2-azaspiro[4.4]nonane-9-carboxamide
CID 98895207
(5R,9S)-2-(cyclopentylmethyl)-N-(3,3-difluorocyclobutyl)-2-azaspiro[4.4]nonane-9-carboxamide
CID 98895208
[(5S,9R)-2-(cyclopropylmethyl)-2-azaspiro[4.4]nonan-9-yl]-(3,3-difluoroazetidin-1-yl)methanone
CID 98896271
[(5S,9S)-2-(cyclopropylmethyl)-2-azaspiro[4.4]nonan-9-yl]-(3,3-difluoroazetidin-1-yl)methanone
CID 98896272
[(5R,9R)-2-(cyclopropylmethyl)-2-azaspiro[4.4]nonan-9-yl]-(3,3-difluoroazetidin-1-yl)methanone
CID 98896273
[(5R,9S)-2-(cyclopropylmethyl)-2-azaspiro[4.4]nonan-9-yl]-(3,3-difluoroazetidin-1-yl)methanone
CID 98896274
(5R,9R)-2-(cyclopropylmethyl)-N-(3,3-difluorocyclobutyl)-2-azaspiro[4.4]nonane-9-carboxamide
CID 98897814
2-(cyclopentylmethyl)-N-(3,3-difluorocyclobutyl)-2-azaspiro[4.4]nonane-9-carboxamide
CID 131642826
[2-(Cyclopropylmethyl)-2-azaspiro[4.4]nonan-9-yl]-(3,3-difluoroazetidin-1-yl)methanone
CID 131643510
N-cyclobutyl-5-(3,3-difluorocyclobutanecarbonyl)-5-azaspiro[2.4]heptane-2-carboxamide
CID 131682903

Frequently Asked Questions

What is the IUPAC name of (5S,9S)-2-(cyclopropylmethyl)-N-(3,3-difluorocyclobutyl)-2-azaspiro[4.4]nonane-9-carboxamide?
The IUPAC name of (5S,9S)-2-(cyclopropylmethyl)-N-(3,3-difluorocyclobutyl)-2-azaspiro[4.4]nonane-9-carboxamide (CID 98895299) is (5S,9S)-2-(cyclopropylmethyl)-N-(3,3-difluorocyclobutyl)-2-azaspiro[4.4]nonane-9-carboxamide.
What is the SMILES notation for (5S,9S)-2-(cyclopropylmethyl)-N-(3,3-difluorocyclobutyl)-2-azaspiro[4.4]nonane-9-carboxamide?
The canonical SMILES for (5S,9S)-2-(cyclopropylmethyl)-N-(3,3-difluorocyclobutyl)-2-azaspiro[4.4]nonane-9-carboxamide is O=C(NC1CC(F)(F)C1)[C@H]1CCC[C@]12CCN(CC1CC1)C2.
What is the InChIKey of (5S,9S)-2-(cyclopropylmethyl)-N-(3,3-difluorocyclobutyl)-2-azaspiro[4.4]nonane-9-carboxamide?
The InChIKey is AQOWBEHWOXOZHV-GDBMZVCRSA-N. The full InChI is InChI=1S/C17H26F2N2O/c18-17(19)8-13(9-17)20-15(22)14-2-1-5-16(14)6-7-21(11-16)10-12-3-4-12/h12-14H,1-11H2,(H,20,22)/t14-,16-/m1/s1.
What are the key properties of (5S,9S)-2-(cyclopropylmethyl)-N-(3,3-difluorocyclobutyl)-2-azaspiro[4.4]nonane-9-carboxamide?
(5S,9S)-2-(cyclopropylmethyl)-N-(3,3-difluorocyclobutyl)-2-azaspiro[4.4]nonane-9-carboxamide has a molecular weight of 312.40 g/mol, XLogP of 2.80, 4 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (5S,9S)-2-(cyclopropylmethyl)-N-(3,3-difluorocyclobutyl)-2-azaspiro[4.4]nonane-9-carboxamide is sourced from PubChem (CID 98895299), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).