2-[(3S,4S)-3-ethyl-1-(4-fluorobenzoyl)piperidin-4-yl]-1-morpholin-4-ylethanone

C20H27FN2O3 — CID 162966907

IUPAC2-[(3S,4S)-3-ethyl-1-(4-fluorobenzoyl)piperidin-4-yl]-1-morpholin-4-ylethanone
SMILESCC[C@@H]1CN(C(=O)c2ccc(F)cc2)CC[C@H]1CC(=O)N1CCOCC1
InChIInChI=1S/C20H27FN2O3/c1-2-15-14-23(20(25)16-3-5-18(21)6-4-16)8-7-17(15)13-19(24)22-9-11-26-12-10-22/h3-6,15,17H,2,7-14H2,1H3/t15-,17+/m1/s1
InChIKeyYDKDLRPNCIDDDL-WBVHZDCISA-N
MW362.45 g/mol
LogP2.56
Rot. Bonds4

About 2-[(3S,4S)-3-ethyl-1-(4-fluorobenzoyl)piperidin-4-yl]-1-morpholin-4-ylethanone

2-[(3S,4S)-3-ethyl-1-(4-fluorobenzoyl)piperidin-4-yl]-1-morpholin-4-ylethanone (PubChem CID 162966907) has the molecular formula C20H27FN2O3 and a molecular weight of 362.45 g/mol. Its IUPAC name is 2-[(3S,4S)-3-ethyl-1-(4-fluorobenzoyl)piperidin-4-yl]-1-morpholin-4-ylethanone.

Molecular Properties

Compound Name2-[(3S,4S)-3-ethyl-1-(4-fluorobenzoyl)piperidin-4-yl]-1-morpholin-4-ylethanone
PubChem CID162966907
Molecular FormulaC20H27FN2O3
Molecular Weight362.45 g/mol
Exact Mass362.20
IUPAC Name2-[(3S,4S)-3-ethyl-1-(4-fluorobenzoyl)piperidin-4-yl]-1-morpholin-4-ylethanone
SMILESCC[C@@H]1CN(C(=O)c2ccc(F)cc2)CC[C@H]1CC(=O)N1CCOCC1
InChIInChI=1S/C20H27FN2O3/c1-2-15-14-23(20(25)16-3-5-18(21)6-4-16)8-7-17(15)13-19(24)22-9-11-26-12-10-22/h3-6,15,17H,2,7-14H2,1H3/t15-,17+/m1/s1
InChIKeyYDKDLRPNCIDDDL-WBVHZDCISA-N
XLogP2.56
TPSA49.85 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500362.45
LogP ≤ 52.56
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Related Compounds

2-[3-ethyl-1-(furan-2-carbonyl)piperidin-4-yl]-1-morpholin-4-ylethanone
CID 74576696
N-cyclopropyl-2-[3-ethyl-1-(4-fluorobenzoyl)piperidin-4-yl]acetamide
CID 73139183
2-(1-benzoyl-3-ethylpiperidin-4-yl)-1-(4-hydroxypiperidin-1-yl)ethanone
CID 73148945
2-[(3S,4S)-4-(4-fluorophenoxy)-1-(6-methylpyridine-3-carbonyl)piperidin-3-yl]-1-morpholin-4-ylethanone
CID 110078417
2-[(3R,4S)-3-ethyl-1-(4-fluorobenzoyl)piperidin-4-yl]-N-(thiophen-2-ylmethyl)acetamide
CID 11912525
2-[(3S,4S)-4-(4-fluorophenoxy)-1-[3-(trifluoromethyl)benzoyl]piperidin-3-yl]-1-morpholin-4-ylethanone
CID 110078463
N-(1,3-benzodioxol-5-ylmethyl)-2-[(3R,4S)-3-ethyl-1-(4-fluorobenzoyl)piperidin-4-yl]acetamide
CID 11941275
[3-ethyl-4-(propylamino)piperidin-1-yl]-(4-fluorophenyl)methanone
CID 114506968
2-[(3R,4S)-3-ethyl-1-(4-fluorobenzoyl)piperidin-4-yl]-N-[(2-methoxyphenyl)methyl]acetamide
CID 11912308
2-[(3S,4S)-4-(4-fluorophenoxy)-1-(4-methoxybenzoyl)piperidin-3-yl]-1-(4-methylpiperazin-1-yl)ethanone
CID 110079526
(4-fluorophenyl)-(1,4-oxazepan-4-yl)methanone
CID 62060048
(3-ethylpiperidin-1-yl)-(4-fluorophenyl)methanone
CID 23552313

Frequently Asked Questions

What is the IUPAC name of 2-[(3S,4S)-3-ethyl-1-(4-fluorobenzoyl)piperidin-4-yl]-1-morpholin-4-ylethanone?
The IUPAC name of 2-[(3S,4S)-3-ethyl-1-(4-fluorobenzoyl)piperidin-4-yl]-1-morpholin-4-ylethanone (CID 162966907) is 2-[(3S,4S)-3-ethyl-1-(4-fluorobenzoyl)piperidin-4-yl]-1-morpholin-4-ylethanone.
What is the SMILES notation for 2-[(3S,4S)-3-ethyl-1-(4-fluorobenzoyl)piperidin-4-yl]-1-morpholin-4-ylethanone?
The canonical SMILES for 2-[(3S,4S)-3-ethyl-1-(4-fluorobenzoyl)piperidin-4-yl]-1-morpholin-4-ylethanone is CC[C@@H]1CN(C(=O)c2ccc(F)cc2)CC[C@H]1CC(=O)N1CCOCC1.
What is the InChIKey of 2-[(3S,4S)-3-ethyl-1-(4-fluorobenzoyl)piperidin-4-yl]-1-morpholin-4-ylethanone?
The InChIKey is YDKDLRPNCIDDDL-WBVHZDCISA-N. The full InChI is InChI=1S/C20H27FN2O3/c1-2-15-14-23(20(25)16-3-5-18(21)6-4-16)8-7-17(15)13-19(24)22-9-11-26-12-10-22/h3-6,15,17H,2,7-14H2,1H3/t15-,17+/m1/s1.
What are the key properties of 2-[(3S,4S)-3-ethyl-1-(4-fluorobenzoyl)piperidin-4-yl]-1-morpholin-4-ylethanone?
2-[(3S,4S)-3-ethyl-1-(4-fluorobenzoyl)piperidin-4-yl]-1-morpholin-4-ylethanone has a molecular weight of 362.45 g/mol, XLogP of 2.56, 4 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[(3S,4S)-3-ethyl-1-(4-fluorobenzoyl)piperidin-4-yl]-1-morpholin-4-ylethanone is sourced from PubChem (CID 162966907), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).