2-[(3S,4S)-4-(4-fluorophenoxy)-1-(1H-indazole-3-carbonyl)piperidin-3-yl]-1-morpholin-4-ylethanone

C25H27FN4O4 — CID 110078438

IUPAC2-[(3S,4S)-4-(4-fluorophenoxy)-1-(1H-indazole-3-carbonyl)piperidin-3-yl]-1-morpholin-4-ylethanone
SMILESO=C(C[C@H]1CN(C(=O)c2n[nH]c3ccccc23)CC[C@@H]1Oc1ccc(F)cc1)N1CCOCC1
InChIInChI=1S/C25H27FN4O4/c26-18-5-7-19(8-6-18)34-22-9-10-30(16-17(22)15-23(31)29-11-13-33-14-12-29)25(32)24-20-3-1-2-4-21(20)27-28-24/h1-8,17,22H,9-16H2,(H,27,28)/t17-,22-/m0/s1
InChIKeyLOPHTTJIWWCXTP-JTSKRJEESA-N
MW466.51 g/mol
LogP2.86
Rot. Bonds5

About 2-[(3S,4S)-4-(4-fluorophenoxy)-1-(1H-indazole-3-carbonyl)piperidin-3-yl]-1-morpholin-4-ylethanone

2-[(3S,4S)-4-(4-fluorophenoxy)-1-(1H-indazole-3-carbonyl)piperidin-3-yl]-1-morpholin-4-ylethanone (PubChem CID 110078438) has the molecular formula C25H27FN4O4 and a molecular weight of 466.51 g/mol. Its IUPAC name is 2-[(3S,4S)-4-(4-fluorophenoxy)-1-(1H-indazole-3-carbonyl)piperidin-3-yl]-1-morpholin-4-ylethanone.

Molecular Properties

Compound Name2-[(3S,4S)-4-(4-fluorophenoxy)-1-(1H-indazole-3-carbonyl)piperidin-3-yl]-1-morpholin-4-ylethanone
PubChem CID110078438
Molecular FormulaC25H27FN4O4
Molecular Weight466.51 g/mol
Exact Mass466.20
IUPAC Name2-[(3S,4S)-4-(4-fluorophenoxy)-1-(1H-indazole-3-carbonyl)piperidin-3-yl]-1-morpholin-4-ylethanone
SMILESO=C(C[C@H]1CN(C(=O)c2n[nH]c3ccccc23)CC[C@@H]1Oc1ccc(F)cc1)N1CCOCC1
InChIInChI=1S/C25H27FN4O4/c26-18-5-7-19(8-6-18)34-22-9-10-30(16-17(22)15-23(31)29-11-13-33-14-12-29)25(32)24-20-3-1-2-4-21(20)27-28-24/h1-8,17,22H,9-16H2,(H,27,28)/t17-,22-/m0/s1
InChIKeyLOPHTTJIWWCXTP-JTSKRJEESA-N
XLogP2.86
TPSA87.76 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms34
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500466.51
LogP ≤ 52.86
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Analyze 2-[(3S,4S)-4-(4-fluorophenoxy)-1-(1H-indazole-3-carbonyl)piperidin-3-yl]-1-morpholin-4-ylethanone with MolForge

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Related Compounds

2-[(3S,4S)-4-(4-fluorophenoxy)-1-(6-methylpyridine-3-carbonyl)piperidin-3-yl]-1-morpholin-4-ylethanone
CID 110078417
2-[(3S,4S)-4-(4-fluorophenoxy)-1-[3-(trifluoromethyl)benzoyl]piperidin-3-yl]-1-morpholin-4-ylethanone
CID 110078463
1-[3-[(3S,4S)-4-(4-fluorophenoxy)-3-(2-morpholin-4-yl-2-oxoethyl)piperidin-1-yl]-3-oxopropyl]pyridin-2-one
CID 110078423
2-[(3S,4S)-1-[2-(3-chlorophenyl)acetyl]-4-(4-fluorophenoxy)piperidin-3-yl]-1-morpholin-4-ylethanone
CID 110078430
2-cyclopropyl-1-[(3S,4S)-3-(2-morpholin-4-yl-2-oxoethyl)-4-phenoxypiperidin-1-yl]ethanone
CID 110079156
2-[(3S,4S)-4-(4-fluorophenoxy)-1-(2-morpholin-4-ylacetyl)piperidin-3-yl]acetamide
CID 110079585
1-[4-(1H-indazole-3-carbonyl)piperazin-1-yl]-2-morpholin-4-ylethane-1,2-dione
CID 41363693
1H-indazol-3-yl-[2-(phenoxymethyl)morpholin-4-yl]methanone
CID 170858480
(4-amino-3-ethylpiperidin-1-yl)-(1H-indazol-3-yl)methanone
CID 81457192
2-[(3S,4S)-4-(4-fluorophenoxy)-1-(4-methoxybenzoyl)piperidin-3-yl]-1-(4-methylpiperazin-1-yl)ethanone
CID 110079526
2-[(3S,4S)-4-(3-chlorophenoxy)-1-(1H-pyrazole-5-carbonyl)piperidin-3-yl]-1-morpholin-4-ylethanone
CID 110078587
2-[(3S,4S)-3-ethyl-1-(4-fluorobenzoyl)piperidin-4-yl]-1-morpholin-4-ylethanone
CID 162966907

Frequently Asked Questions

What is the IUPAC name of 2-[(3S,4S)-4-(4-fluorophenoxy)-1-(1H-indazole-3-carbonyl)piperidin-3-yl]-1-morpholin-4-ylethanone?
The IUPAC name of 2-[(3S,4S)-4-(4-fluorophenoxy)-1-(1H-indazole-3-carbonyl)piperidin-3-yl]-1-morpholin-4-ylethanone (CID 110078438) is 2-[(3S,4S)-4-(4-fluorophenoxy)-1-(1H-indazole-3-carbonyl)piperidin-3-yl]-1-morpholin-4-ylethanone.
What is the SMILES notation for 2-[(3S,4S)-4-(4-fluorophenoxy)-1-(1H-indazole-3-carbonyl)piperidin-3-yl]-1-morpholin-4-ylethanone?
The canonical SMILES for 2-[(3S,4S)-4-(4-fluorophenoxy)-1-(1H-indazole-3-carbonyl)piperidin-3-yl]-1-morpholin-4-ylethanone is O=C(C[C@H]1CN(C(=O)c2n[nH]c3ccccc23)CC[C@@H]1Oc1ccc(F)cc1)N1CCOCC1.
What is the InChIKey of 2-[(3S,4S)-4-(4-fluorophenoxy)-1-(1H-indazole-3-carbonyl)piperidin-3-yl]-1-morpholin-4-ylethanone?
The InChIKey is LOPHTTJIWWCXTP-JTSKRJEESA-N. The full InChI is InChI=1S/C25H27FN4O4/c26-18-5-7-19(8-6-18)34-22-9-10-30(16-17(22)15-23(31)29-11-13-33-14-12-29)25(32)24-20-3-1-2-4-21(20)27-28-24/h1-8,17,22H,9-16H2,(H,27,28)/t17-,22-/m0/s1.
What are the key properties of 2-[(3S,4S)-4-(4-fluorophenoxy)-1-(1H-indazole-3-carbonyl)piperidin-3-yl]-1-morpholin-4-ylethanone?
2-[(3S,4S)-4-(4-fluorophenoxy)-1-(1H-indazole-3-carbonyl)piperidin-3-yl]-1-morpholin-4-ylethanone has a molecular weight of 466.51 g/mol, XLogP of 2.86, 5 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[(3S,4S)-4-(4-fluorophenoxy)-1-(1H-indazole-3-carbonyl)piperidin-3-yl]-1-morpholin-4-ylethanone is sourced from PubChem (CID 110078438), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).