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

C19H30F2N2O — CID 98895205

IUPAC(5S,9R)-2-(cyclopentylmethyl)-N-(3,3-difluorocyclobutyl)-2-azaspiro[4.4]nonane-9-carboxamide
SMILESO=C(NC1CC(F)(F)C1)[C@@H]1CCC[C@]12CCN(CC1CCCC1)C2
InChIInChI=1S/C19H30F2N2O/c20-19(21)10-15(11-19)22-17(24)16-6-3-7-18(16)8-9-23(13-18)12-14-4-1-2-5-14/h14-16H,1-13H2,(H,22,24)/t16-,18+/m0/s1
InChIKeyGYKSRAGTFGLAPU-FUHWJXTLSA-N
MW340.46 g/mol
LogP3.58
Rot. Bonds4

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

(5S,9R)-2-(cyclopentylmethyl)-N-(3,3-difluorocyclobutyl)-2-azaspiro[4.4]nonane-9-carboxamide (PubChem CID 98895205) has the molecular formula C19H30F2N2O and a molecular weight of 340.46 g/mol. Its IUPAC name is (5S,9R)-2-(cyclopentylmethyl)-N-(3,3-difluorocyclobutyl)-2-azaspiro[4.4]nonane-9-carboxamide.

Molecular Properties

Compound Name(5S,9R)-2-(cyclopentylmethyl)-N-(3,3-difluorocyclobutyl)-2-azaspiro[4.4]nonane-9-carboxamide
PubChem CID98895205
Molecular FormulaC19H30F2N2O
Molecular Weight340.46 g/mol
Exact Mass340.23
IUPAC Name(5S,9R)-2-(cyclopentylmethyl)-N-(3,3-difluorocyclobutyl)-2-azaspiro[4.4]nonane-9-carboxamide
SMILESO=C(NC1CC(F)(F)C1)[C@@H]1CCC[C@]12CCN(CC1CCCC1)C2
InChIInChI=1S/C19H30F2N2O/c20-19(21)10-15(11-19)22-17(24)16-6-3-7-18(16)8-9-23(13-18)12-14-4-1-2-5-14/h14-16H,1-13H2,(H,22,24)/t16-,18+/m0/s1
InChIKeyGYKSRAGTFGLAPU-FUHWJXTLSA-N
XLogP3.58
TPSA32.34 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500340.46
LogP ≤ 53.58
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of (5S,9R)-2-(cyclopentylmethyl)-N-(3,3-difluorocyclobutyl)-2-azaspiro[4.4]nonane-9-carboxamide?
The IUPAC name of (5S,9R)-2-(cyclopentylmethyl)-N-(3,3-difluorocyclobutyl)-2-azaspiro[4.4]nonane-9-carboxamide (CID 98895205) is (5S,9R)-2-(cyclopentylmethyl)-N-(3,3-difluorocyclobutyl)-2-azaspiro[4.4]nonane-9-carboxamide.
What is the SMILES notation for (5S,9R)-2-(cyclopentylmethyl)-N-(3,3-difluorocyclobutyl)-2-azaspiro[4.4]nonane-9-carboxamide?
The canonical SMILES for (5S,9R)-2-(cyclopentylmethyl)-N-(3,3-difluorocyclobutyl)-2-azaspiro[4.4]nonane-9-carboxamide is O=C(NC1CC(F)(F)C1)[C@@H]1CCC[C@]12CCN(CC1CCCC1)C2.
What is the InChIKey of (5S,9R)-2-(cyclopentylmethyl)-N-(3,3-difluorocyclobutyl)-2-azaspiro[4.4]nonane-9-carboxamide?
The InChIKey is GYKSRAGTFGLAPU-FUHWJXTLSA-N. The full InChI is InChI=1S/C19H30F2N2O/c20-19(21)10-15(11-19)22-17(24)16-6-3-7-18(16)8-9-23(13-18)12-14-4-1-2-5-14/h14-16H,1-13H2,(H,22,24)/t16-,18+/m0/s1.
What are the key properties of (5S,9R)-2-(cyclopentylmethyl)-N-(3,3-difluorocyclobutyl)-2-azaspiro[4.4]nonane-9-carboxamide?
(5S,9R)-2-(cyclopentylmethyl)-N-(3,3-difluorocyclobutyl)-2-azaspiro[4.4]nonane-9-carboxamide has a molecular weight of 340.46 g/mol, XLogP of 3.58, 4 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (5S,9R)-2-(cyclopentylmethyl)-N-(3,3-difluorocyclobutyl)-2-azaspiro[4.4]nonane-9-carboxamide is sourced from PubChem (CID 98895205), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).