N-[3-(aminomethyl)cyclopentyl]-5-(trifluoromethyl)-9-oxa-2-azaspiro[5.5]undecane-2-carboxamide

C17H28F3N3O2 — CID 128834592

IUPACN-[3-(aminomethyl)cyclopentyl]-5-(trifluoromethyl)-9-oxa-2-azaspiro[5.5]undecane-2-carboxamide
SMILESNCC1CCC(NC(=O)N2CCC(C(F)(F)F)C3(CCOCC3)C2)C1
InChIInChI=1S/C17H28F3N3O2/c18-17(19,20)14-3-6-23(11-16(14)4-7-25-8-5-16)15(24)22-13-2-1-12(9-13)10-21/h12-14H,1-11,21H2,(H,22,24)
InChIKeyPXAPJJOAENSFIF-UHFFFAOYSA-N
MW363.42 g/mol
LogP2.50
Rot. Bonds2

About N-[3-(aminomethyl)cyclopentyl]-5-(trifluoromethyl)-9-oxa-2-azaspiro[5.5]undecane-2-carboxamide

N-[3-(aminomethyl)cyclopentyl]-5-(trifluoromethyl)-9-oxa-2-azaspiro[5.5]undecane-2-carboxamide (PubChem CID 128834592) has the molecular formula C17H28F3N3O2 and a molecular weight of 363.42 g/mol. Its IUPAC name is N-[3-(aminomethyl)cyclopentyl]-5-(trifluoromethyl)-9-oxa-2-azaspiro[5.5]undecane-2-carboxamide.

Molecular Properties

Compound NameN-[3-(aminomethyl)cyclopentyl]-5-(trifluoromethyl)-9-oxa-2-azaspiro[5.5]undecane-2-carboxamide
PubChem CID128834592
Molecular FormulaC17H28F3N3O2
Molecular Weight363.42 g/mol
Exact Mass363.21
IUPAC NameN-[3-(aminomethyl)cyclopentyl]-5-(trifluoromethyl)-9-oxa-2-azaspiro[5.5]undecane-2-carboxamide
SMILESNCC1CCC(NC(=O)N2CCC(C(F)(F)F)C3(CCOCC3)C2)C1
InChIInChI=1S/C17H28F3N3O2/c18-17(19,20)14-3-6-23(11-16(14)4-7-25-8-5-16)15(24)22-13-2-1-12(9-13)10-21/h12-14H,1-11,21H2,(H,22,24)
InChIKeyPXAPJJOAENSFIF-UHFFFAOYSA-N
XLogP2.50
TPSA67.59 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500363.42
LogP ≤ 52.50
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of N-[3-(aminomethyl)cyclopentyl]-5-(trifluoromethyl)-9-oxa-2-azaspiro[5.5]undecane-2-carboxamide?
The IUPAC name of N-[3-(aminomethyl)cyclopentyl]-5-(trifluoromethyl)-9-oxa-2-azaspiro[5.5]undecane-2-carboxamide (CID 128834592) is N-[3-(aminomethyl)cyclopentyl]-5-(trifluoromethyl)-9-oxa-2-azaspiro[5.5]undecane-2-carboxamide.
What is the SMILES notation for N-[3-(aminomethyl)cyclopentyl]-5-(trifluoromethyl)-9-oxa-2-azaspiro[5.5]undecane-2-carboxamide?
The canonical SMILES for N-[3-(aminomethyl)cyclopentyl]-5-(trifluoromethyl)-9-oxa-2-azaspiro[5.5]undecane-2-carboxamide is NCC1CCC(NC(=O)N2CCC(C(F)(F)F)C3(CCOCC3)C2)C1.
What is the InChIKey of N-[3-(aminomethyl)cyclopentyl]-5-(trifluoromethyl)-9-oxa-2-azaspiro[5.5]undecane-2-carboxamide?
The InChIKey is PXAPJJOAENSFIF-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H28F3N3O2/c18-17(19,20)14-3-6-23(11-16(14)4-7-25-8-5-16)15(24)22-13-2-1-12(9-13)10-21/h12-14H,1-11,21H2,(H,22,24).
What are the key properties of N-[3-(aminomethyl)cyclopentyl]-5-(trifluoromethyl)-9-oxa-2-azaspiro[5.5]undecane-2-carboxamide?
N-[3-(aminomethyl)cyclopentyl]-5-(trifluoromethyl)-9-oxa-2-azaspiro[5.5]undecane-2-carboxamide has a molecular weight of 363.42 g/mol, XLogP of 2.50, 2 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[3-(aminomethyl)cyclopentyl]-5-(trifluoromethyl)-9-oxa-2-azaspiro[5.5]undecane-2-carboxamide is sourced from PubChem (CID 128834592), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).