2-[(2S)-1-(4-fluorocyclohexyl)-3-(methylamino)propan-2-yl]morpholine-4-carboxamide

C15H28FN3O2 — CID 69469520

IUPAC2-[(2S)-1-(4-fluorocyclohexyl)-3-(methylamino)propan-2-yl]morpholine-4-carboxamide
SMILESCNC[C@H](CC1CCC(F)CC1)C1CN(C(N)=O)CCO1
InChIInChI=1S/C15H28FN3O2/c1-18-9-12(8-11-2-4-13(16)5-3-11)14-10-19(15(17)20)6-7-21-14/h11-14,18H,2-10H2,1H3,(H2,17,20)/t11?,12-,13?,14?/m0/s1
InChIKeyWKORSRMOZMJASU-UDXKHGJESA-N
MW301.41 g/mol
LogP1.52
Rot. Bonds5

About 2-[(2S)-1-(4-fluorocyclohexyl)-3-(methylamino)propan-2-yl]morpholine-4-carboxamide

2-[(2S)-1-(4-fluorocyclohexyl)-3-(methylamino)propan-2-yl]morpholine-4-carboxamide (PubChem CID 69469520) has the molecular formula C15H28FN3O2 and a molecular weight of 301.41 g/mol. Its IUPAC name is 2-[(2S)-1-(4-fluorocyclohexyl)-3-(methylamino)propan-2-yl]morpholine-4-carboxamide.

Molecular Properties

Compound Name2-[(2S)-1-(4-fluorocyclohexyl)-3-(methylamino)propan-2-yl]morpholine-4-carboxamide
PubChem CID69469520
Molecular FormulaC15H28FN3O2
Molecular Weight301.41 g/mol
Exact Mass301.22
IUPAC Name2-[(2S)-1-(4-fluorocyclohexyl)-3-(methylamino)propan-2-yl]morpholine-4-carboxamide
SMILESCNC[C@H](CC1CCC(F)CC1)C1CN(C(N)=O)CCO1
InChIInChI=1S/C15H28FN3O2/c1-18-9-12(8-11-2-4-13(16)5-3-11)14-10-19(15(17)20)6-7-21-14/h11-14,18H,2-10H2,1H3,(H2,17,20)/t11?,12-,13?,14?/m0/s1
InChIKeyWKORSRMOZMJASU-UDXKHGJESA-N
XLogP1.52
TPSA67.59 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500301.41
LogP ≤ 51.52
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 2-[(2S)-1-(4-fluorocyclohexyl)-3-(methylamino)propan-2-yl]morpholine-4-carboxamide?
The IUPAC name of 2-[(2S)-1-(4-fluorocyclohexyl)-3-(methylamino)propan-2-yl]morpholine-4-carboxamide (CID 69469520) is 2-[(2S)-1-(4-fluorocyclohexyl)-3-(methylamino)propan-2-yl]morpholine-4-carboxamide.
What is the SMILES notation for 2-[(2S)-1-(4-fluorocyclohexyl)-3-(methylamino)propan-2-yl]morpholine-4-carboxamide?
The canonical SMILES for 2-[(2S)-1-(4-fluorocyclohexyl)-3-(methylamino)propan-2-yl]morpholine-4-carboxamide is CNC[C@H](CC1CCC(F)CC1)C1CN(C(N)=O)CCO1.
What is the InChIKey of 2-[(2S)-1-(4-fluorocyclohexyl)-3-(methylamino)propan-2-yl]morpholine-4-carboxamide?
The InChIKey is WKORSRMOZMJASU-UDXKHGJESA-N. The full InChI is InChI=1S/C15H28FN3O2/c1-18-9-12(8-11-2-4-13(16)5-3-11)14-10-19(15(17)20)6-7-21-14/h11-14,18H,2-10H2,1H3,(H2,17,20)/t11?,12-,13?,14?/m0/s1.
What are the key properties of 2-[(2S)-1-(4-fluorocyclohexyl)-3-(methylamino)propan-2-yl]morpholine-4-carboxamide?
2-[(2S)-1-(4-fluorocyclohexyl)-3-(methylamino)propan-2-yl]morpholine-4-carboxamide has a molecular weight of 301.41 g/mol, XLogP of 1.52, 5 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[(2S)-1-(4-fluorocyclohexyl)-3-(methylamino)propan-2-yl]morpholine-4-carboxamide is sourced from PubChem (CID 69469520), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).