4-[cyclopropyl-[(4-fluorophenyl)methyl]amino]-N-methyl-1-oxa-9-azaspiro[5.5]undecane-9-carboxamide

C21H30FN3O2 — CID 91919188

IUPAC4-[cyclopropyl-[(4-fluorophenyl)methyl]amino]-N-methyl-1-oxa-9-azaspiro[5.5]undecane-9-carboxamide
SMILESCNC(=O)N1CCC2(CC1)CC(N(Cc1ccc(F)cc1)C1CC1)CCO2
InChIInChI=1S/C21H30FN3O2/c1-23-20(26)24-11-9-21(10-12-24)14-19(8-13-27-21)25(18-6-7-18)15-16-2-4-17(22)5-3-16/h2-5,18-19H,6-15H2,1H3,(H,23,26)
InChIKeyLQCYBDROMOHQAW-UHFFFAOYSA-N
MW375.49 g/mol
LogP3.14
Rot. Bonds4

About 4-[cyclopropyl-[(4-fluorophenyl)methyl]amino]-N-methyl-1-oxa-9-azaspiro[5.5]undecane-9-carboxamide

4-[cyclopropyl-[(4-fluorophenyl)methyl]amino]-N-methyl-1-oxa-9-azaspiro[5.5]undecane-9-carboxamide (PubChem CID 91919188) has the molecular formula C21H30FN3O2 and a molecular weight of 375.49 g/mol. Its IUPAC name is 4-[cyclopropyl-[(4-fluorophenyl)methyl]amino]-N-methyl-1-oxa-9-azaspiro[5.5]undecane-9-carboxamide.

Molecular Properties

Compound Name4-[cyclopropyl-[(4-fluorophenyl)methyl]amino]-N-methyl-1-oxa-9-azaspiro[5.5]undecane-9-carboxamide
PubChem CID91919188
Molecular FormulaC21H30FN3O2
Molecular Weight375.49 g/mol
Exact Mass375.23
IUPAC Name4-[cyclopropyl-[(4-fluorophenyl)methyl]amino]-N-methyl-1-oxa-9-azaspiro[5.5]undecane-9-carboxamide
SMILESCNC(=O)N1CCC2(CC1)CC(N(Cc1ccc(F)cc1)C1CC1)CCO2
InChIInChI=1S/C21H30FN3O2/c1-23-20(26)24-11-9-21(10-12-24)14-19(8-13-27-21)25(18-6-7-18)15-16-2-4-17(22)5-3-16/h2-5,18-19H,6-15H2,1H3,(H,23,26)
InChIKeyLQCYBDROMOHQAW-UHFFFAOYSA-N
XLogP3.14
TPSA44.81 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500375.49
LogP ≤ 53.14
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 4-[cyclopropyl-[(4-fluorophenyl)methyl]amino]-N-methyl-1-oxa-9-azaspiro[5.5]undecane-9-carboxamide?
The IUPAC name of 4-[cyclopropyl-[(4-fluorophenyl)methyl]amino]-N-methyl-1-oxa-9-azaspiro[5.5]undecane-9-carboxamide (CID 91919188) is 4-[cyclopropyl-[(4-fluorophenyl)methyl]amino]-N-methyl-1-oxa-9-azaspiro[5.5]undecane-9-carboxamide.
What is the SMILES notation for 4-[cyclopropyl-[(4-fluorophenyl)methyl]amino]-N-methyl-1-oxa-9-azaspiro[5.5]undecane-9-carboxamide?
The canonical SMILES for 4-[cyclopropyl-[(4-fluorophenyl)methyl]amino]-N-methyl-1-oxa-9-azaspiro[5.5]undecane-9-carboxamide is CNC(=O)N1CCC2(CC1)CC(N(Cc1ccc(F)cc1)C1CC1)CCO2.
What is the InChIKey of 4-[cyclopropyl-[(4-fluorophenyl)methyl]amino]-N-methyl-1-oxa-9-azaspiro[5.5]undecane-9-carboxamide?
The InChIKey is LQCYBDROMOHQAW-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H30FN3O2/c1-23-20(26)24-11-9-21(10-12-24)14-19(8-13-27-21)25(18-6-7-18)15-16-2-4-17(22)5-3-16/h2-5,18-19H,6-15H2,1H3,(H,23,26).
What are the key properties of 4-[cyclopropyl-[(4-fluorophenyl)methyl]amino]-N-methyl-1-oxa-9-azaspiro[5.5]undecane-9-carboxamide?
4-[cyclopropyl-[(4-fluorophenyl)methyl]amino]-N-methyl-1-oxa-9-azaspiro[5.5]undecane-9-carboxamide has a molecular weight of 375.49 g/mol, XLogP of 3.14, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[cyclopropyl-[(4-fluorophenyl)methyl]amino]-N-methyl-1-oxa-9-azaspiro[5.5]undecane-9-carboxamide is sourced from PubChem (CID 91919188), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).