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

C19H30F2N2O — CID 131642826

IUPAC2-(cyclopentylmethyl)-N-(3,3-difluorocyclobutyl)-2-azaspiro[4.4]nonane-9-carboxamide
SMILESO=C(NC1CC(F)(F)C1)C1CCCC12CCN(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)
InChIKeyGYKSRAGTFGLAPU-UHFFFAOYSA-N
MW340.46 g/mol
LogP3.58
Rot. Bonds4

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

2-(cyclopentylmethyl)-N-(3,3-difluorocyclobutyl)-2-azaspiro[4.4]nonane-9-carboxamide (PubChem CID 131642826) has the molecular formula C19H30F2N2O and a molecular weight of 340.46 g/mol. Its IUPAC name is 2-(cyclopentylmethyl)-N-(3,3-difluorocyclobutyl)-2-azaspiro[4.4]nonane-9-carboxamide.

Molecular Properties

Compound Name2-(cyclopentylmethyl)-N-(3,3-difluorocyclobutyl)-2-azaspiro[4.4]nonane-9-carboxamide
PubChem CID131642826
Molecular FormulaC19H30F2N2O
Molecular Weight340.46 g/mol
Exact Mass340.23
IUPAC Name2-(cyclopentylmethyl)-N-(3,3-difluorocyclobutyl)-2-azaspiro[4.4]nonane-9-carboxamide
SMILESO=C(NC1CC(F)(F)C1)C1CCCC12CCN(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)
InChIKeyGYKSRAGTFGLAPU-UHFFFAOYSA-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 2-(cyclopentylmethyl)-N-(3,3-difluorocyclobutyl)-2-azaspiro[4.4]nonane-9-carboxamide?
The IUPAC name of 2-(cyclopentylmethyl)-N-(3,3-difluorocyclobutyl)-2-azaspiro[4.4]nonane-9-carboxamide (CID 131642826) is 2-(cyclopentylmethyl)-N-(3,3-difluorocyclobutyl)-2-azaspiro[4.4]nonane-9-carboxamide.
What is the SMILES notation for 2-(cyclopentylmethyl)-N-(3,3-difluorocyclobutyl)-2-azaspiro[4.4]nonane-9-carboxamide?
The canonical SMILES for 2-(cyclopentylmethyl)-N-(3,3-difluorocyclobutyl)-2-azaspiro[4.4]nonane-9-carboxamide is O=C(NC1CC(F)(F)C1)C1CCCC12CCN(CC1CCCC1)C2.
What is the InChIKey of 2-(cyclopentylmethyl)-N-(3,3-difluorocyclobutyl)-2-azaspiro[4.4]nonane-9-carboxamide?
The InChIKey is GYKSRAGTFGLAPU-UHFFFAOYSA-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).
What are the key properties of 2-(cyclopentylmethyl)-N-(3,3-difluorocyclobutyl)-2-azaspiro[4.4]nonane-9-carboxamide?
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 2-(cyclopentylmethyl)-N-(3,3-difluorocyclobutyl)-2-azaspiro[4.4]nonane-9-carboxamide is sourced from PubChem (CID 131642826), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).