[4-[2-(difluoromethoxy)benzoyl]piperazin-1-yl]-[1-(4-fluorobenzoyl)piperidin-3-yl]methanone

C25H26F3N3O4 — CID 46434757

IUPAC[4-[2-(difluoromethoxy)benzoyl]piperazin-1-yl]-[1-(4-fluorobenzoyl)piperidin-3-yl]methanone
SMILESO=C(c1ccc(F)cc1)N1CCCC(C(=O)N2CCN(C(=O)c3ccccc3OC(F)F)CC2)C1
InChIInChI=1S/C25H26F3N3O4/c26-19-9-7-17(8-10-19)22(32)31-11-3-4-18(16-31)23(33)29-12-14-30(15-13-29)24(34)20-5-1-2-6-21(20)35-25(27)28/h1-2,5-10,18,25H,3-4,11-16H2
InChIKeyOTGHLHYZGMOUFJ-UHFFFAOYSA-N
MW489.49 g/mol
LogP3.26
Rot. Bonds5

About [4-[2-(difluoromethoxy)benzoyl]piperazin-1-yl]-[1-(4-fluorobenzoyl)piperidin-3-yl]methanone

[4-[2-(difluoromethoxy)benzoyl]piperazin-1-yl]-[1-(4-fluorobenzoyl)piperidin-3-yl]methanone (PubChem CID 46434757) has the molecular formula C25H26F3N3O4 and a molecular weight of 489.49 g/mol. Its IUPAC name is [4-[2-(difluoromethoxy)benzoyl]piperazin-1-yl]-[1-(4-fluorobenzoyl)piperidin-3-yl]methanone.

Molecular Properties

Compound Name[4-[2-(difluoromethoxy)benzoyl]piperazin-1-yl]-[1-(4-fluorobenzoyl)piperidin-3-yl]methanone
PubChem CID46434757
Molecular FormulaC25H26F3N3O4
Molecular Weight489.49 g/mol
Exact Mass489.19
IUPAC Name[4-[2-(difluoromethoxy)benzoyl]piperazin-1-yl]-[1-(4-fluorobenzoyl)piperidin-3-yl]methanone
SMILESO=C(c1ccc(F)cc1)N1CCCC(C(=O)N2CCN(C(=O)c3ccccc3OC(F)F)CC2)C1
InChIInChI=1S/C25H26F3N3O4/c26-19-9-7-17(8-10-19)22(32)31-11-3-4-18(16-31)23(33)29-12-14-30(15-13-29)24(34)20-5-1-2-6-21(20)35-25(27)28/h1-2,5-10,18,25H,3-4,11-16H2
InChIKeyOTGHLHYZGMOUFJ-UHFFFAOYSA-N
XLogP3.26
TPSA70.16 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms35
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500489.49
LogP ≤ 53.26
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Related Compounds

1-[3-[4-[2-(difluoromethoxy)benzoyl]piperazine-1-carbonyl]piperidin-1-yl]-2-phenylethanone
CID 55608451
[1-[2-(difluoromethoxy)benzoyl]piperidin-3-yl]-[4-(2-methylpropyl)piperazin-1-yl]methanone
CID 55638637
[1-[2-(difluoromethoxy)benzoyl]piperidin-3-yl]-(4-pyrimidin-2-ylpiperazin-1-yl)methanone
CID 55637957
[(3R)-3-aminopyrrolidin-1-yl]-[1-[2-(difluoromethoxy)benzoyl]piperidin-3-yl]methanone
CID 119409468
[(3R)-1-(4-fluorobenzoyl)piperidin-3-yl]-piperidin-1-ylmethanone
CID 936701
N-[1-[1-[2-(difluoromethoxy)benzoyl]piperidine-3-carbonyl]piperidin-4-yl]cyclopropanecarboxamide
CID 46480263
[2-(aminomethyl)piperidin-1-yl]-[1-[2-(difluoromethoxy)benzoyl]piperidin-3-yl]methanone;hydrochloride
CID 119466370
1-[2-(difluoromethoxy)benzoyl]-N-methoxypiperidine-3-carboxamide
CID 46416186
(4-benzylpiperazin-1-yl)-[(3R)-1-(4-fluorobenzoyl)piperidin-3-yl]methanone
CID 25297530
1-[3-[4-(4-fluorobenzoyl)piperazine-1-carbonyl]piperidin-1-yl]-2-phenylethanone
CID 46546638
[1-(4-fluorobenzoyl)piperidin-3-yl]-(4-hydroxypiperidin-1-yl)methanone
CID 110883925
[1-(4-fluorobenzoyl)piperidin-3-yl]-(4-phenylpiperidin-1-yl)methanone
CID 134799195

Frequently Asked Questions

What is the IUPAC name of [4-[2-(difluoromethoxy)benzoyl]piperazin-1-yl]-[1-(4-fluorobenzoyl)piperidin-3-yl]methanone?
The IUPAC name of [4-[2-(difluoromethoxy)benzoyl]piperazin-1-yl]-[1-(4-fluorobenzoyl)piperidin-3-yl]methanone (CID 46434757) is [4-[2-(difluoromethoxy)benzoyl]piperazin-1-yl]-[1-(4-fluorobenzoyl)piperidin-3-yl]methanone.
What is the SMILES notation for [4-[2-(difluoromethoxy)benzoyl]piperazin-1-yl]-[1-(4-fluorobenzoyl)piperidin-3-yl]methanone?
The canonical SMILES for [4-[2-(difluoromethoxy)benzoyl]piperazin-1-yl]-[1-(4-fluorobenzoyl)piperidin-3-yl]methanone is O=C(c1ccc(F)cc1)N1CCCC(C(=O)N2CCN(C(=O)c3ccccc3OC(F)F)CC2)C1.
What is the InChIKey of [4-[2-(difluoromethoxy)benzoyl]piperazin-1-yl]-[1-(4-fluorobenzoyl)piperidin-3-yl]methanone?
The InChIKey is OTGHLHYZGMOUFJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C25H26F3N3O4/c26-19-9-7-17(8-10-19)22(32)31-11-3-4-18(16-31)23(33)29-12-14-30(15-13-29)24(34)20-5-1-2-6-21(20)35-25(27)28/h1-2,5-10,18,25H,3-4,11-16H2.
What are the key properties of [4-[2-(difluoromethoxy)benzoyl]piperazin-1-yl]-[1-(4-fluorobenzoyl)piperidin-3-yl]methanone?
[4-[2-(difluoromethoxy)benzoyl]piperazin-1-yl]-[1-(4-fluorobenzoyl)piperidin-3-yl]methanone has a molecular weight of 489.49 g/mol, XLogP of 3.26, 5 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for [4-[2-(difluoromethoxy)benzoyl]piperazin-1-yl]-[1-(4-fluorobenzoyl)piperidin-3-yl]methanone is sourced from PubChem (CID 46434757), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).