N-(1-cyclopentyl-2,2,2-trifluoroethyl)-2-azaspiro[4.5]decane-8-carboxamide

C17H27F3N2O — CID 166270302

IUPACN-(1-cyclopentyl-2,2,2-trifluoroethyl)-2-azaspiro[4.5]decane-8-carboxamide
SMILESO=C(NC(C1CCCC1)C(F)(F)F)C1CCC2(CCNC2)CC1
InChIInChI=1S/C17H27F3N2O/c18-17(19,20)14(12-3-1-2-4-12)22-15(23)13-5-7-16(8-6-13)9-10-21-11-16/h12-14,21H,1-11H2,(H,22,23)
InChIKeyCPRCHQVMRONCRX-UHFFFAOYSA-N
MW332.41 g/mol
LogP3.39
Rot. Bonds3

About N-(1-cyclopentyl-2,2,2-trifluoroethyl)-2-azaspiro[4.5]decane-8-carboxamide

N-(1-cyclopentyl-2,2,2-trifluoroethyl)-2-azaspiro[4.5]decane-8-carboxamide (PubChem CID 166270302) has the molecular formula C17H27F3N2O and a molecular weight of 332.41 g/mol. Its IUPAC name is N-(1-cyclopentyl-2,2,2-trifluoroethyl)-2-azaspiro[4.5]decane-8-carboxamide.

Molecular Properties

Compound NameN-(1-cyclopentyl-2,2,2-trifluoroethyl)-2-azaspiro[4.5]decane-8-carboxamide
PubChem CID166270302
Molecular FormulaC17H27F3N2O
Molecular Weight332.41 g/mol
Exact Mass332.21
IUPAC NameN-(1-cyclopentyl-2,2,2-trifluoroethyl)-2-azaspiro[4.5]decane-8-carboxamide
SMILESO=C(NC(C1CCCC1)C(F)(F)F)C1CCC2(CCNC2)CC1
InChIInChI=1S/C17H27F3N2O/c18-17(19,20)14(12-3-1-2-4-12)22-15(23)13-5-7-16(8-6-13)9-10-21-11-16/h12-14,21H,1-11H2,(H,22,23)
InChIKeyCPRCHQVMRONCRX-UHFFFAOYSA-N
XLogP3.39
TPSA41.13 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500332.41
LogP ≤ 53.39
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of N-(1-cyclopentyl-2,2,2-trifluoroethyl)-2-azaspiro[4.5]decane-8-carboxamide?
The IUPAC name of N-(1-cyclopentyl-2,2,2-trifluoroethyl)-2-azaspiro[4.5]decane-8-carboxamide (CID 166270302) is N-(1-cyclopentyl-2,2,2-trifluoroethyl)-2-azaspiro[4.5]decane-8-carboxamide.
What is the SMILES notation for N-(1-cyclopentyl-2,2,2-trifluoroethyl)-2-azaspiro[4.5]decane-8-carboxamide?
The canonical SMILES for N-(1-cyclopentyl-2,2,2-trifluoroethyl)-2-azaspiro[4.5]decane-8-carboxamide is O=C(NC(C1CCCC1)C(F)(F)F)C1CCC2(CCNC2)CC1.
What is the InChIKey of N-(1-cyclopentyl-2,2,2-trifluoroethyl)-2-azaspiro[4.5]decane-8-carboxamide?
The InChIKey is CPRCHQVMRONCRX-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H27F3N2O/c18-17(19,20)14(12-3-1-2-4-12)22-15(23)13-5-7-16(8-6-13)9-10-21-11-16/h12-14,21H,1-11H2,(H,22,23).
What are the key properties of N-(1-cyclopentyl-2,2,2-trifluoroethyl)-2-azaspiro[4.5]decane-8-carboxamide?
N-(1-cyclopentyl-2,2,2-trifluoroethyl)-2-azaspiro[4.5]decane-8-carboxamide has a molecular weight of 332.41 g/mol, XLogP of 3.39, 3 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-(1-cyclopentyl-2,2,2-trifluoroethyl)-2-azaspiro[4.5]decane-8-carboxamide is sourced from PubChem (CID 166270302), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).