1-[3-[4-[2-(difluoromethoxy)benzoyl]piperazine-1-carbonyl]piperidin-1-yl]-2-phenylethanone

C26H29F2N3O4 — CID 55608451

IUPAC1-[3-[4-[2-(difluoromethoxy)benzoyl]piperazine-1-carbonyl]piperidin-1-yl]-2-phenylethanone
SMILESO=C(Cc1ccccc1)N1CCCC(C(=O)N2CCN(C(=O)c3ccccc3OC(F)F)CC2)C1
InChIInChI=1S/C26H29F2N3O4/c27-26(28)35-22-11-5-4-10-21(22)25(34)30-15-13-29(14-16-30)24(33)20-9-6-12-31(18-20)23(32)17-19-7-2-1-3-8-19/h1-5,7-8,10-11,20,26H,6,9,12-18H2
InChIKeyRXODHKQRKIRKES-UHFFFAOYSA-N
MW485.53 g/mol
LogP3.05
Rot. Bonds6

About 1-[3-[4-[2-(difluoromethoxy)benzoyl]piperazine-1-carbonyl]piperidin-1-yl]-2-phenylethanone

1-[3-[4-[2-(difluoromethoxy)benzoyl]piperazine-1-carbonyl]piperidin-1-yl]-2-phenylethanone (PubChem CID 55608451) has the molecular formula C26H29F2N3O4 and a molecular weight of 485.53 g/mol. Its IUPAC name is 1-[3-[4-[2-(difluoromethoxy)benzoyl]piperazine-1-carbonyl]piperidin-1-yl]-2-phenylethanone.

Molecular Properties

Compound Name1-[3-[4-[2-(difluoromethoxy)benzoyl]piperazine-1-carbonyl]piperidin-1-yl]-2-phenylethanone
PubChem CID55608451
Molecular FormulaC26H29F2N3O4
Molecular Weight485.53 g/mol
Exact Mass485.21
IUPAC Name1-[3-[4-[2-(difluoromethoxy)benzoyl]piperazine-1-carbonyl]piperidin-1-yl]-2-phenylethanone
SMILESO=C(Cc1ccccc1)N1CCCC(C(=O)N2CCN(C(=O)c3ccccc3OC(F)F)CC2)C1
InChIInChI=1S/C26H29F2N3O4/c27-26(28)35-22-11-5-4-10-21(22)25(34)30-15-13-29(14-16-30)24(33)20-9-6-12-31(18-20)23(32)17-19-7-2-1-3-8-19/h1-5,7-8,10-11,20,26H,6,9,12-18H2
InChIKeyRXODHKQRKIRKES-UHFFFAOYSA-N
XLogP3.05
TPSA70.16 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms35
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500485.53
LogP ≤ 53.05
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

Analyze 1-[3-[4-[2-(difluoromethoxy)benzoyl]piperazine-1-carbonyl]piperidin-1-yl]-2-phenylethanone with MolForge

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Related Compounds

[4-[2-(difluoromethoxy)benzoyl]piperazin-1-yl]-[1-(4-fluorobenzoyl)piperidin-3-yl]methanone
CID 46434757
[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
1-[3-[4-(4-fluorobenzoyl)piperazine-1-carbonyl]piperidin-1-yl]-2-phenylethanone
CID 46546638
[(3R)-3-aminopyrrolidin-1-yl]-[1-[2-(difluoromethoxy)benzoyl]piperidin-3-yl]methanone
CID 119409468
1-[3-(4-benzoyl-1,4-diazepane-1-carbonyl)piperidin-1-yl]-2-phenylethanone
CID 78861461
N-[1-[1-[2-(difluoromethoxy)benzoyl]piperidine-3-carbonyl]piperidin-4-yl]cyclopropanecarboxamide
CID 46480263
1-[2-(difluoromethoxy)benzoyl]-N-(2,2,2-trifluoroethyl)piperidine-3-carboxamide
CID 55637901
[2-(aminomethyl)piperidin-1-yl]-[1-[2-(difluoromethoxy)benzoyl]piperidin-3-yl]methanone;hydrochloride
CID 119466370
benzyl 2-[[1-[2-(difluoromethoxy)benzoyl]piperidine-3-carbonyl]amino]acetate
CID 55638063
2-cyclohexyl-1-[4-[2-(difluoromethoxy)benzoyl]piperazin-1-yl]ethanone
CID 134001998
[1-[2-(difluoromethoxy)benzoyl]piperidin-3-yl]-[2-(methylaminomethyl)pyrrolidin-1-yl]methanone
CID 119648790

Frequently Asked Questions

What is the IUPAC name of 1-[3-[4-[2-(difluoromethoxy)benzoyl]piperazine-1-carbonyl]piperidin-1-yl]-2-phenylethanone?
The IUPAC name of 1-[3-[4-[2-(difluoromethoxy)benzoyl]piperazine-1-carbonyl]piperidin-1-yl]-2-phenylethanone (CID 55608451) is 1-[3-[4-[2-(difluoromethoxy)benzoyl]piperazine-1-carbonyl]piperidin-1-yl]-2-phenylethanone.
What is the SMILES notation for 1-[3-[4-[2-(difluoromethoxy)benzoyl]piperazine-1-carbonyl]piperidin-1-yl]-2-phenylethanone?
The canonical SMILES for 1-[3-[4-[2-(difluoromethoxy)benzoyl]piperazine-1-carbonyl]piperidin-1-yl]-2-phenylethanone is O=C(Cc1ccccc1)N1CCCC(C(=O)N2CCN(C(=O)c3ccccc3OC(F)F)CC2)C1.
What is the InChIKey of 1-[3-[4-[2-(difluoromethoxy)benzoyl]piperazine-1-carbonyl]piperidin-1-yl]-2-phenylethanone?
The InChIKey is RXODHKQRKIRKES-UHFFFAOYSA-N. The full InChI is InChI=1S/C26H29F2N3O4/c27-26(28)35-22-11-5-4-10-21(22)25(34)30-15-13-29(14-16-30)24(33)20-9-6-12-31(18-20)23(32)17-19-7-2-1-3-8-19/h1-5,7-8,10-11,20,26H,6,9,12-18H2.
What are the key properties of 1-[3-[4-[2-(difluoromethoxy)benzoyl]piperazine-1-carbonyl]piperidin-1-yl]-2-phenylethanone?
1-[3-[4-[2-(difluoromethoxy)benzoyl]piperazine-1-carbonyl]piperidin-1-yl]-2-phenylethanone has a molecular weight of 485.53 g/mol, XLogP of 3.05, 6 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[3-[4-[2-(difluoromethoxy)benzoyl]piperazine-1-carbonyl]piperidin-1-yl]-2-phenylethanone is sourced from PubChem (CID 55608451), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).