(4-fluorophenyl)-[(3S)-1-(morpholine-4-carbonyl)piperidin-3-yl]methanone

C17H21FN2O3 — CID 69455638

IUPAC(4-fluorophenyl)-[(3S)-1-(morpholine-4-carbonyl)piperidin-3-yl]methanone
SMILESO=C(c1ccc(F)cc1)[C@H]1CCCN(C(=O)N2CCOCC2)C1
InChIInChI=1S/C17H21FN2O3/c18-15-5-3-13(4-6-15)16(21)14-2-1-7-20(12-14)17(22)19-8-10-23-11-9-19/h3-6,14H,1-2,7-12H2/t14-/m0/s1
InChIKeyKWBACXSHENENGO-AWEZNQCLSA-N
MW320.36 g/mol
LogP2.17
Rot. Bonds2

About (4-fluorophenyl)-[(3S)-1-(morpholine-4-carbonyl)piperidin-3-yl]methanone

(4-fluorophenyl)-[(3S)-1-(morpholine-4-carbonyl)piperidin-3-yl]methanone (PubChem CID 69455638) has the molecular formula C17H21FN2O3 and a molecular weight of 320.36 g/mol. Its IUPAC name is (4-fluorophenyl)-[(3S)-1-(morpholine-4-carbonyl)piperidin-3-yl]methanone.

Molecular Properties

Compound Name(4-fluorophenyl)-[(3S)-1-(morpholine-4-carbonyl)piperidin-3-yl]methanone
PubChem CID69455638
Molecular FormulaC17H21FN2O3
Molecular Weight320.36 g/mol
Exact Mass320.15
IUPAC Name(4-fluorophenyl)-[(3S)-1-(morpholine-4-carbonyl)piperidin-3-yl]methanone
SMILESO=C(c1ccc(F)cc1)[C@H]1CCCN(C(=O)N2CCOCC2)C1
InChIInChI=1S/C17H21FN2O3/c18-15-5-3-13(4-6-15)16(21)14-2-1-7-20(12-14)17(22)19-8-10-23-11-9-19/h3-6,14H,1-2,7-12H2/t14-/m0/s1
InChIKeyKWBACXSHENENGO-AWEZNQCLSA-N
XLogP2.17
TPSA49.85 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500320.36
LogP ≤ 52.17
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Related Compounds

cyclohexyl-[(3S)-3-(4-fluorobenzoyl)piperidin-1-yl]methanone
CID 69455656
2-amino-1-[3-(4-fluorobenzoyl)piperidin-1-yl]ethanone
CID 119332026
[1-[4-(aminomethyl)oxane-4-carbonyl]piperidin-3-yl]-(4-fluorophenyl)methanone;hydrochloride
CID 120934454
(2R)-2-amino-1-[3-(4-fluorobenzoyl)piperidin-1-yl]propan-1-one
CID 119332040
(4-fluorophenyl)-[1-(2-hydroxycyclopentanecarbonyl)piperidin-3-yl]methanone
CID 110014714
N,N-diethyl-3-(4-fluorobenzoyl)piperidine-1-carboxamide
CID 110394813
(4-methylsulfanylphenyl)-[1-(4-morpholin-4-ylbenzoyl)piperidin-3-yl]methanone
CID 45219229
[(3S)-1-[(3R)-1,1-dioxothiolane-3-carbonyl]piperidin-3-yl]-(4-fluorophenyl)methanone
CID 100619159
[(3S)-1-(5-chlorothiophene-2-carbonyl)piperidin-3-yl]-(4-fluorophenyl)methanone
CID 69455246
(4-fluorophenyl)-[1-(3-methylbenzoyl)piperidin-3-yl]methanone
CID 110394780
(4-fluorophenyl)-(1,4-oxazepan-4-yl)methanone
CID 62060048
(4-fluorophenyl)-[(3R)-1-[(1S,2R)-2-(furan-2-yl)cyclopropanecarbonyl]piperidin-3-yl]methanone
CID 124859877

Frequently Asked Questions

What is the IUPAC name of (4-fluorophenyl)-[(3S)-1-(morpholine-4-carbonyl)piperidin-3-yl]methanone?
The IUPAC name of (4-fluorophenyl)-[(3S)-1-(morpholine-4-carbonyl)piperidin-3-yl]methanone (CID 69455638) is (4-fluorophenyl)-[(3S)-1-(morpholine-4-carbonyl)piperidin-3-yl]methanone.
What is the SMILES notation for (4-fluorophenyl)-[(3S)-1-(morpholine-4-carbonyl)piperidin-3-yl]methanone?
The canonical SMILES for (4-fluorophenyl)-[(3S)-1-(morpholine-4-carbonyl)piperidin-3-yl]methanone is O=C(c1ccc(F)cc1)[C@H]1CCCN(C(=O)N2CCOCC2)C1.
What is the InChIKey of (4-fluorophenyl)-[(3S)-1-(morpholine-4-carbonyl)piperidin-3-yl]methanone?
The InChIKey is KWBACXSHENENGO-AWEZNQCLSA-N. The full InChI is InChI=1S/C17H21FN2O3/c18-15-5-3-13(4-6-15)16(21)14-2-1-7-20(12-14)17(22)19-8-10-23-11-9-19/h3-6,14H,1-2,7-12H2/t14-/m0/s1.
What are the key properties of (4-fluorophenyl)-[(3S)-1-(morpholine-4-carbonyl)piperidin-3-yl]methanone?
(4-fluorophenyl)-[(3S)-1-(morpholine-4-carbonyl)piperidin-3-yl]methanone has a molecular weight of 320.36 g/mol, XLogP of 2.17, 2 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (4-fluorophenyl)-[(3S)-1-(morpholine-4-carbonyl)piperidin-3-yl]methanone is sourced from PubChem (CID 69455638), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).