4-[1-[1-(4-fluorobenzoyl)piperidine-4-carbonyl]piperidin-4-yl]morpholin-3-one

C22H28FN3O4 — CID 134797710

IUPAC4-[1-[1-(4-fluorobenzoyl)piperidine-4-carbonyl]piperidin-4-yl]morpholin-3-one
SMILESO=C(c1ccc(F)cc1)N1CCC(C(=O)N2CCC(N3CCOCC3=O)CC2)CC1
InChIInChI=1S/C22H28FN3O4/c23-18-3-1-16(2-4-18)21(28)24-9-5-17(6-10-24)22(29)25-11-7-19(8-12-25)26-13-14-30-15-20(26)27/h1-4,17,19H,5-15H2
InChIKeyMERPHADEXZKPDM-UHFFFAOYSA-N
MW417.48 g/mol
LogP1.53
Rot. Bonds3

About 4-[1-[1-(4-fluorobenzoyl)piperidine-4-carbonyl]piperidin-4-yl]morpholin-3-one

4-[1-[1-(4-fluorobenzoyl)piperidine-4-carbonyl]piperidin-4-yl]morpholin-3-one (PubChem CID 134797710) has the molecular formula C22H28FN3O4 and a molecular weight of 417.48 g/mol. Its IUPAC name is 4-[1-[1-(4-fluorobenzoyl)piperidine-4-carbonyl]piperidin-4-yl]morpholin-3-one.

Molecular Properties

Compound Name4-[1-[1-(4-fluorobenzoyl)piperidine-4-carbonyl]piperidin-4-yl]morpholin-3-one
PubChem CID134797710
Molecular FormulaC22H28FN3O4
Molecular Weight417.48 g/mol
Exact Mass417.21
IUPAC Name4-[1-[1-(4-fluorobenzoyl)piperidine-4-carbonyl]piperidin-4-yl]morpholin-3-one
SMILESO=C(c1ccc(F)cc1)N1CCC(C(=O)N2CCC(N3CCOCC3=O)CC2)CC1
InChIInChI=1S/C22H28FN3O4/c23-18-3-1-16(2-4-18)21(28)24-9-5-17(6-10-24)22(29)25-11-7-19(8-12-25)26-13-14-30-15-20(26)27/h1-4,17,19H,5-15H2
InChIKeyMERPHADEXZKPDM-UHFFFAOYSA-N
XLogP1.53
TPSA70.16 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms30
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500417.48
LogP ≤ 51.53
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Related Compounds

4-[1-[1-(4-methylbenzoyl)piperidine-4-carbonyl]piperidin-4-yl]morpholin-3-one
CID 134797290
1-[4-[4-(4-fluorobenzoyl)piperazine-1-carbonyl]piperidin-1-yl]prop-2-en-1-one
CID 166405547
morpholin-4-yl-[1-[1-[4-(trifluoromethyl)benzoyl]piperidine-4-carbonyl]piperidin-4-yl]methanone
CID 32651661
1-(4-fluorobenzoyl)-N-[(3R)-oxolan-3-yl]piperidine-4-carboxamide
CID 124614187
1-[4-[4-(4-fluorobenzoyl)piperazine-1-carbonyl]piperidin-1-yl]butan-1-one
CID 87024437
1-[4-[4-(morpholine-4-carbonyl)piperidine-1-carbonyl]phenyl]pyrrolidin-2-one
CID 46564409
[1-(3-fluoro-4-methylbenzoyl)piperidin-4-yl]-morpholin-4-ylmethanone
CID 38491417
[4-(4-fluorophenyl)piperazin-1-yl]-[1-(4-methylbenzoyl)piperidin-4-yl]methanone
CID 126023047
[1-[1-(4-fluorobenzoyl)piperidin-4-yl]piperidin-4-yl]-[4-(2-fluorophenyl)piperazin-1-yl]methanone
CID 42881342
1-azabicyclo[2.1.0]pentane;(4-fluorophenyl)-pyrrolidin-1-ylmethanone
CID 87786267
[4-(4-fluorophenyl)piperazin-1-yl]-[1-[4-(trifluoromethyl)benzoyl]piperidin-4-yl]methanone
CID 46688999
(4-fluorophenyl)-(1,4-oxazepan-4-yl)methanone
CID 62060048

Frequently Asked Questions

What is the IUPAC name of 4-[1-[1-(4-fluorobenzoyl)piperidine-4-carbonyl]piperidin-4-yl]morpholin-3-one?
The IUPAC name of 4-[1-[1-(4-fluorobenzoyl)piperidine-4-carbonyl]piperidin-4-yl]morpholin-3-one (CID 134797710) is 4-[1-[1-(4-fluorobenzoyl)piperidine-4-carbonyl]piperidin-4-yl]morpholin-3-one.
What is the SMILES notation for 4-[1-[1-(4-fluorobenzoyl)piperidine-4-carbonyl]piperidin-4-yl]morpholin-3-one?
The canonical SMILES for 4-[1-[1-(4-fluorobenzoyl)piperidine-4-carbonyl]piperidin-4-yl]morpholin-3-one is O=C(c1ccc(F)cc1)N1CCC(C(=O)N2CCC(N3CCOCC3=O)CC2)CC1.
What is the InChIKey of 4-[1-[1-(4-fluorobenzoyl)piperidine-4-carbonyl]piperidin-4-yl]morpholin-3-one?
The InChIKey is MERPHADEXZKPDM-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H28FN3O4/c23-18-3-1-16(2-4-18)21(28)24-9-5-17(6-10-24)22(29)25-11-7-19(8-12-25)26-13-14-30-15-20(26)27/h1-4,17,19H,5-15H2.
What are the key properties of 4-[1-[1-(4-fluorobenzoyl)piperidine-4-carbonyl]piperidin-4-yl]morpholin-3-one?
4-[1-[1-(4-fluorobenzoyl)piperidine-4-carbonyl]piperidin-4-yl]morpholin-3-one has a molecular weight of 417.48 g/mol, XLogP of 1.53, 3 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[1-[1-(4-fluorobenzoyl)piperidine-4-carbonyl]piperidin-4-yl]morpholin-3-one is sourced from PubChem (CID 134797710), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).