[4-[N-(4-methoxy-3-pyridinyl)-4-(trifluoromethyl)anilino]cyclohexyl]-morpholin-4-ylmethanone

C24H28F3N3O3 — CID 176923000

IUPAC[4-[N-(4-methoxy-3-pyridinyl)-4-(trifluoromethyl)anilino]cyclohexyl]-morpholin-4-ylmethanone
SMILESCOc1ccncc1N(c1ccc(C(F)(F)F)cc1)C1CCC(C(=O)N2CCOCC2)CC1
InChIInChI=1S/C24H28F3N3O3/c1-32-22-10-11-28-16-21(22)30(20-8-4-18(5-9-20)24(25,26)27)19-6-2-17(3-7-19)23(31)29-12-14-33-15-13-29/h4-5,8-11,16-17,19H,2-3,6-7,12-15H2,1H3
InChIKeyIXJCFXIKPMMBSI-UHFFFAOYSA-N
MW463.50 g/mol
LogP4.66
Rot. Bonds5

About [4-[N-(4-methoxy-3-pyridinyl)-4-(trifluoromethyl)anilino]cyclohexyl]-morpholin-4-ylmethanone

[4-[N-(4-methoxy-3-pyridinyl)-4-(trifluoromethyl)anilino]cyclohexyl]-morpholin-4-ylmethanone (PubChem CID 176923000) has the molecular formula C24H28F3N3O3 and a molecular weight of 463.50 g/mol. Its IUPAC name is [4-[N-(4-methoxy-3-pyridinyl)-4-(trifluoromethyl)anilino]cyclohexyl]-morpholin-4-ylmethanone.

Molecular Properties

Compound Name[4-[N-(4-methoxy-3-pyridinyl)-4-(trifluoromethyl)anilino]cyclohexyl]-morpholin-4-ylmethanone
PubChem CID176923000
Molecular FormulaC24H28F3N3O3
Molecular Weight463.50 g/mol
Exact Mass463.21
IUPAC Name[4-[N-(4-methoxy-3-pyridinyl)-4-(trifluoromethyl)anilino]cyclohexyl]-morpholin-4-ylmethanone
SMILESCOc1ccncc1N(c1ccc(C(F)(F)F)cc1)C1CCC(C(=O)N2CCOCC2)CC1
InChIInChI=1S/C24H28F3N3O3/c1-32-22-10-11-28-16-21(22)30(20-8-4-18(5-9-20)24(25,26)27)19-6-2-17(3-7-19)23(31)29-12-14-33-15-13-29/h4-5,8-11,16-17,19H,2-3,6-7,12-15H2,1H3
InChIKeyIXJCFXIKPMMBSI-UHFFFAOYSA-N
XLogP4.66
TPSA54.90 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms33
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500463.50
LogP ≤ 54.66
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of [4-[N-(4-methoxy-3-pyridinyl)-4-(trifluoromethyl)anilino]cyclohexyl]-morpholin-4-ylmethanone?
The IUPAC name of [4-[N-(4-methoxy-3-pyridinyl)-4-(trifluoromethyl)anilino]cyclohexyl]-morpholin-4-ylmethanone (CID 176923000) is [4-[N-(4-methoxy-3-pyridinyl)-4-(trifluoromethyl)anilino]cyclohexyl]-morpholin-4-ylmethanone.
What is the SMILES notation for [4-[N-(4-methoxy-3-pyridinyl)-4-(trifluoromethyl)anilino]cyclohexyl]-morpholin-4-ylmethanone?
The canonical SMILES for [4-[N-(4-methoxy-3-pyridinyl)-4-(trifluoromethyl)anilino]cyclohexyl]-morpholin-4-ylmethanone is COc1ccncc1N(c1ccc(C(F)(F)F)cc1)C1CCC(C(=O)N2CCOCC2)CC1.
What is the InChIKey of [4-[N-(4-methoxy-3-pyridinyl)-4-(trifluoromethyl)anilino]cyclohexyl]-morpholin-4-ylmethanone?
The InChIKey is IXJCFXIKPMMBSI-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H28F3N3O3/c1-32-22-10-11-28-16-21(22)30(20-8-4-18(5-9-20)24(25,26)27)19-6-2-17(3-7-19)23(31)29-12-14-33-15-13-29/h4-5,8-11,16-17,19H,2-3,6-7,12-15H2,1H3.
What are the key properties of [4-[N-(4-methoxy-3-pyridinyl)-4-(trifluoromethyl)anilino]cyclohexyl]-morpholin-4-ylmethanone?
[4-[N-(4-methoxy-3-pyridinyl)-4-(trifluoromethyl)anilino]cyclohexyl]-morpholin-4-ylmethanone has a molecular weight of 463.50 g/mol, XLogP of 4.66, 5 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for [4-[N-(4-methoxy-3-pyridinyl)-4-(trifluoromethyl)anilino]cyclohexyl]-morpholin-4-ylmethanone is sourced from PubChem (CID 176923000), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).