2-[(3S,4S)-4-(4-fluorophenoxy)-1-(2-morpholin-4-ylacetyl)piperidin-3-yl]acetamide

C19H26FN3O4 — CID 110079585

IUPAC2-[(3S,4S)-4-(4-fluorophenoxy)-1-(2-morpholin-4-ylacetyl)piperidin-3-yl]acetamide
SMILESNC(=O)C[C@H]1CN(C(=O)CN2CCOCC2)CC[C@@H]1Oc1ccc(F)cc1
InChIInChI=1S/C19H26FN3O4/c20-15-1-3-16(4-2-15)27-17-5-6-23(12-14(17)11-18(21)24)19(25)13-22-7-9-26-10-8-22/h1-4,14,17H,5-13H2,(H2,21,24)/t14-,17-/m0/s1
InChIKeyDUGLCZYMYPKROM-YOEHRIQHSA-N
MW379.43 g/mol
LogP0.63
Rot. Bonds6

About 2-[(3S,4S)-4-(4-fluorophenoxy)-1-(2-morpholin-4-ylacetyl)piperidin-3-yl]acetamide

2-[(3S,4S)-4-(4-fluorophenoxy)-1-(2-morpholin-4-ylacetyl)piperidin-3-yl]acetamide (PubChem CID 110079585) has the molecular formula C19H26FN3O4 and a molecular weight of 379.43 g/mol. Its IUPAC name is 2-[(3S,4S)-4-(4-fluorophenoxy)-1-(2-morpholin-4-ylacetyl)piperidin-3-yl]acetamide.

Molecular Properties

Compound Name2-[(3S,4S)-4-(4-fluorophenoxy)-1-(2-morpholin-4-ylacetyl)piperidin-3-yl]acetamide
PubChem CID110079585
Molecular FormulaC19H26FN3O4
Molecular Weight379.43 g/mol
Exact Mass379.19
IUPAC Name2-[(3S,4S)-4-(4-fluorophenoxy)-1-(2-morpholin-4-ylacetyl)piperidin-3-yl]acetamide
SMILESNC(=O)C[C@H]1CN(C(=O)CN2CCOCC2)CC[C@@H]1Oc1ccc(F)cc1
InChIInChI=1S/C19H26FN3O4/c20-15-1-3-16(4-2-15)27-17-5-6-23(12-14(17)11-18(21)24)19(25)13-22-7-9-26-10-8-22/h1-4,14,17H,5-13H2,(H2,21,24)/t14-,17-/m0/s1
InChIKeyDUGLCZYMYPKROM-YOEHRIQHSA-N
XLogP0.63
TPSA85.10 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500379.43
LogP ≤ 50.63
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

2-[(3S,4S)-1-(2,4-difluorobenzoyl)-4-(4-fluorophenoxy)piperidin-3-yl]acetamide
CID 110079604
2-[(3S,4S)-4-(4-chlorophenoxy)-1-[2-(4-methylpiperidin-1-yl)acetyl]piperidin-3-yl]-1-morpholin-4-ylethanone
CID 110078151
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)-4-(4-fluorophenoxy)-1-(2-methyl-1,3-oxazole-4-carbonyl)piperidin-3-yl]acetamide
CID 110079601
2-[(3S,4S)-1-[2-(3-chlorophenyl)acetyl]-4-(4-fluorophenoxy)piperidin-3-yl]-1-morpholin-4-ylethanone
CID 110078430
2-[(3S,4S)-1-(3-fluoro-4-methoxybenzoyl)-4-(4-fluorophenoxy)piperidin-3-yl]acetamide
CID 110079595
2-[(3S,4S)-4-(4-fluorophenoxy)-1-(1H-indazole-3-carbonyl)piperidin-3-yl]-1-morpholin-4-ylethanone
CID 110078438
2-[(3S,4S)-4-(4-fluorophenoxy)-1-(6-methylpyridine-3-carbonyl)piperidin-3-yl]-1-morpholin-4-ylethanone
CID 110078417
2-[(3S,4S)-1-[(3,5-difluorophenyl)methylsulfonyl]-4-(4-fluorophenoxy)piperidin-3-yl]acetamide
CID 110164909
2-[(3S,4S)-4-(4-fluorophenoxy)-1-[3-(trifluoromethyl)benzoyl]piperidin-3-yl]-1-morpholin-4-ylethanone
CID 110078463
2-cyclopropyl-1-[(3S,4S)-3-(2-morpholin-4-yl-2-oxoethyl)-4-phenoxypiperidin-1-yl]ethanone
CID 110079156
2-[(3S,4S)-4-(4-chlorophenoxy)-1-[2-(3,5-dimethylpyrazol-1-yl)acetyl]piperidin-3-yl]-1-morpholin-4-ylethanone
CID 110164628

Frequently Asked Questions

What is the IUPAC name of 2-[(3S,4S)-4-(4-fluorophenoxy)-1-(2-morpholin-4-ylacetyl)piperidin-3-yl]acetamide?
The IUPAC name of 2-[(3S,4S)-4-(4-fluorophenoxy)-1-(2-morpholin-4-ylacetyl)piperidin-3-yl]acetamide (CID 110079585) is 2-[(3S,4S)-4-(4-fluorophenoxy)-1-(2-morpholin-4-ylacetyl)piperidin-3-yl]acetamide.
What is the SMILES notation for 2-[(3S,4S)-4-(4-fluorophenoxy)-1-(2-morpholin-4-ylacetyl)piperidin-3-yl]acetamide?
The canonical SMILES for 2-[(3S,4S)-4-(4-fluorophenoxy)-1-(2-morpholin-4-ylacetyl)piperidin-3-yl]acetamide is NC(=O)C[C@H]1CN(C(=O)CN2CCOCC2)CC[C@@H]1Oc1ccc(F)cc1.
What is the InChIKey of 2-[(3S,4S)-4-(4-fluorophenoxy)-1-(2-morpholin-4-ylacetyl)piperidin-3-yl]acetamide?
The InChIKey is DUGLCZYMYPKROM-YOEHRIQHSA-N. The full InChI is InChI=1S/C19H26FN3O4/c20-15-1-3-16(4-2-15)27-17-5-6-23(12-14(17)11-18(21)24)19(25)13-22-7-9-26-10-8-22/h1-4,14,17H,5-13H2,(H2,21,24)/t14-,17-/m0/s1.
What are the key properties of 2-[(3S,4S)-4-(4-fluorophenoxy)-1-(2-morpholin-4-ylacetyl)piperidin-3-yl]acetamide?
2-[(3S,4S)-4-(4-fluorophenoxy)-1-(2-morpholin-4-ylacetyl)piperidin-3-yl]acetamide has a molecular weight of 379.43 g/mol, XLogP of 0.63, 6 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-(2-morpholin-4-ylacetyl)piperidin-3-yl]acetamide is sourced from PubChem (CID 110079585), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).