(2R)-2-(4-fluorophenyl)-N-[1-(morpholin-4-ylmethyl)cyclohexyl]azetidine-1-carboxamide

C21H30FN3O2 — CID 125438422

IUPAC(2R)-2-(4-fluorophenyl)-N-[1-(morpholin-4-ylmethyl)cyclohexyl]azetidine-1-carboxamide
SMILESO=C(NC1(CN2CCOCC2)CCCCC1)N1CC[C@@H]1c1ccc(F)cc1
InChIInChI=1S/C21H30FN3O2/c22-18-6-4-17(5-7-18)19-8-11-25(19)20(26)23-21(9-2-1-3-10-21)16-24-12-14-27-15-13-24/h4-7,19H,1-3,8-16H2,(H,23,26)/t19-/m1/s1
InChIKeyIKYFKSPXOYHBAC-LJQANCHMSA-N
MW375.49 g/mol
LogP3.32
Rot. Bonds4

About (2R)-2-(4-fluorophenyl)-N-[1-(morpholin-4-ylmethyl)cyclohexyl]azetidine-1-carboxamide

(2R)-2-(4-fluorophenyl)-N-[1-(morpholin-4-ylmethyl)cyclohexyl]azetidine-1-carboxamide (PubChem CID 125438422) has the molecular formula C21H30FN3O2 and a molecular weight of 375.49 g/mol. Its IUPAC name is (2R)-2-(4-fluorophenyl)-N-[1-(morpholin-4-ylmethyl)cyclohexyl]azetidine-1-carboxamide.

Molecular Properties

Compound Name(2R)-2-(4-fluorophenyl)-N-[1-(morpholin-4-ylmethyl)cyclohexyl]azetidine-1-carboxamide
PubChem CID125438422
Molecular FormulaC21H30FN3O2
Molecular Weight375.49 g/mol
Exact Mass375.23
IUPAC Name(2R)-2-(4-fluorophenyl)-N-[1-(morpholin-4-ylmethyl)cyclohexyl]azetidine-1-carboxamide
SMILESO=C(NC1(CN2CCOCC2)CCCCC1)N1CC[C@@H]1c1ccc(F)cc1
InChIInChI=1S/C21H30FN3O2/c22-18-6-4-17(5-7-18)19-8-11-25(19)20(26)23-21(9-2-1-3-10-21)16-24-12-14-27-15-13-24/h4-7,19H,1-3,8-16H2,(H,23,26)/t19-/m1/s1
InChIKeyIKYFKSPXOYHBAC-LJQANCHMSA-N
XLogP3.32
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 ≤ 53.32
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of (2R)-2-(4-fluorophenyl)-N-[1-(morpholin-4-ylmethyl)cyclohexyl]azetidine-1-carboxamide?
The IUPAC name of (2R)-2-(4-fluorophenyl)-N-[1-(morpholin-4-ylmethyl)cyclohexyl]azetidine-1-carboxamide (CID 125438422) is (2R)-2-(4-fluorophenyl)-N-[1-(morpholin-4-ylmethyl)cyclohexyl]azetidine-1-carboxamide.
What is the SMILES notation for (2R)-2-(4-fluorophenyl)-N-[1-(morpholin-4-ylmethyl)cyclohexyl]azetidine-1-carboxamide?
The canonical SMILES for (2R)-2-(4-fluorophenyl)-N-[1-(morpholin-4-ylmethyl)cyclohexyl]azetidine-1-carboxamide is O=C(NC1(CN2CCOCC2)CCCCC1)N1CC[C@@H]1c1ccc(F)cc1.
What is the InChIKey of (2R)-2-(4-fluorophenyl)-N-[1-(morpholin-4-ylmethyl)cyclohexyl]azetidine-1-carboxamide?
The InChIKey is IKYFKSPXOYHBAC-LJQANCHMSA-N. The full InChI is InChI=1S/C21H30FN3O2/c22-18-6-4-17(5-7-18)19-8-11-25(19)20(26)23-21(9-2-1-3-10-21)16-24-12-14-27-15-13-24/h4-7,19H,1-3,8-16H2,(H,23,26)/t19-/m1/s1.
What are the key properties of (2R)-2-(4-fluorophenyl)-N-[1-(morpholin-4-ylmethyl)cyclohexyl]azetidine-1-carboxamide?
(2R)-2-(4-fluorophenyl)-N-[1-(morpholin-4-ylmethyl)cyclohexyl]azetidine-1-carboxamide has a molecular weight of 375.49 g/mol, XLogP of 3.32, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (2R)-2-(4-fluorophenyl)-N-[1-(morpholin-4-ylmethyl)cyclohexyl]azetidine-1-carboxamide is sourced from PubChem (CID 125438422), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).