N-(3-fluoropropyl)-5-azaspiro[2.4]heptane-5-carboxamide

C10H17FN2O — CID 170193610

IUPACN-(3-fluoropropyl)-5-azaspiro[2.4]heptane-5-carboxamide
SMILESO=C(NCCCF)N1CCC2(CC2)C1
InChIInChI=1S/C10H17FN2O/c11-5-1-6-12-9(14)13-7-4-10(8-13)2-3-10/h1-8H2,(H,12,14)
InChIKeyQAWZZJNIWDMXKK-UHFFFAOYSA-N
MW200.26 g/mol
LogP1.54
Rot. Bonds3

About N-(3-fluoropropyl)-5-azaspiro[2.4]heptane-5-carboxamide

N-(3-fluoropropyl)-5-azaspiro[2.4]heptane-5-carboxamide (PubChem CID 170193610) has the molecular formula C10H17FN2O and a molecular weight of 200.26 g/mol. Its IUPAC name is N-(3-fluoropropyl)-5-azaspiro[2.4]heptane-5-carboxamide.

Molecular Properties

Compound NameN-(3-fluoropropyl)-5-azaspiro[2.4]heptane-5-carboxamide
PubChem CID170193610
Molecular FormulaC10H17FN2O
Molecular Weight200.26 g/mol
Exact Mass200.13
IUPAC NameN-(3-fluoropropyl)-5-azaspiro[2.4]heptane-5-carboxamide
SMILESO=C(NCCCF)N1CCC2(CC2)C1
InChIInChI=1S/C10H17FN2O/c11-5-1-6-12-9(14)13-7-4-10(8-13)2-3-10/h1-8H2,(H,12,14)
InChIKeyQAWZZJNIWDMXKK-UHFFFAOYSA-N
XLogP1.54
TPSA32.34 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds3
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500200.26
LogP ≤ 51.54
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}

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Related Compounds

3-fluoro-3-methyl-N-(spiro[2.2]pentan-2-ylmethyl)pyrrolidine-1-carboxamide
CID 126794090
1-[3-[1-(Trifluoromethyl)cyclopropyl]propyl]imidazolidin-2-one
CID 139389092
1-[2-[1-(Trifluoromethyl)cyclopropyl]ethyl]imidazolidin-2-one
CID 139389395
N-(2,2,2-trifluoroethyl)-5-azaspiro[2.4]heptane-5-carboxamide
CID 155123284
2-tert-butyl-N-(2-fluoroethyl)pyrrolidine-1-carboxamide
CID 155627096
N-(2,2-difluoroethyl)-N-methyl-5-azaspiro[2.4]heptane-5-carboxamide
CID 170193617
N-(2-fluoroethyl)-N-methyl-5-azaspiro[2.4]heptane-5-carboxamide
CID 170193620
N-[(2S)-2-fluoropropyl]-5-azaspiro[2.4]heptane-5-carboxamide
CID 170193626
N-[(2R)-1-fluoropropan-2-yl]-5-azaspiro[2.4]heptane-5-carboxamide
CID 170193659
N-[(1-fluorocyclopropyl)methyl]-5-azaspiro[2.4]heptane-5-carboxamide
CID 170193670
N-(2,2-difluoroethyl)-5-azaspiro[2.4]heptane-5-carboxamide
CID 170193687
N-[(1S)-1-fluoroethyl]-5-azaspiro[2.4]heptane-5-carboxamide
CID 170193846

Frequently Asked Questions

What is the IUPAC name of N-(3-fluoropropyl)-5-azaspiro[2.4]heptane-5-carboxamide?
The IUPAC name of N-(3-fluoropropyl)-5-azaspiro[2.4]heptane-5-carboxamide (CID 170193610) is N-(3-fluoropropyl)-5-azaspiro[2.4]heptane-5-carboxamide.
What is the SMILES notation for N-(3-fluoropropyl)-5-azaspiro[2.4]heptane-5-carboxamide?
The canonical SMILES for N-(3-fluoropropyl)-5-azaspiro[2.4]heptane-5-carboxamide is O=C(NCCCF)N1CCC2(CC2)C1.
What is the InChIKey of N-(3-fluoropropyl)-5-azaspiro[2.4]heptane-5-carboxamide?
The InChIKey is QAWZZJNIWDMXKK-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H17FN2O/c11-5-1-6-12-9(14)13-7-4-10(8-13)2-3-10/h1-8H2,(H,12,14).
What are the key properties of N-(3-fluoropropyl)-5-azaspiro[2.4]heptane-5-carboxamide?
N-(3-fluoropropyl)-5-azaspiro[2.4]heptane-5-carboxamide has a molecular weight of 200.26 g/mol, XLogP of 1.54, 3 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for N-(3-fluoropropyl)-5-azaspiro[2.4]heptane-5-carboxamide is sourced from PubChem (CID 170193610), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).