1-[4-(3,4-difluorophenyl)-1,4-diazepan-1-yl]-2-(1-methoxypiperidin-4-yl)ethanone

C19H27F2N3O2 — CID 155952819

IUPAC1-[4-(3,4-difluorophenyl)-1,4-diazepan-1-yl]-2-(1-methoxypiperidin-4-yl)ethanone
SMILESCON1CCC(CC(=O)N2CCCN(c3ccc(F)c(F)c3)CC2)CC1
InChIInChI=1S/C19H27F2N3O2/c1-26-24-9-5-15(6-10-24)13-19(25)23-8-2-7-22(11-12-23)16-3-4-17(20)18(21)14-16/h3-4,14-15H,2,5-13H2,1H3
InChIKeyAGQMFKXJZDUHPD-UHFFFAOYSA-N
MW367.44 g/mol
LogP2.67
Rot. Bonds4

About 1-[4-(3,4-difluorophenyl)-1,4-diazepan-1-yl]-2-(1-methoxypiperidin-4-yl)ethanone

1-[4-(3,4-difluorophenyl)-1,4-diazepan-1-yl]-2-(1-methoxypiperidin-4-yl)ethanone (PubChem CID 155952819) has the molecular formula C19H27F2N3O2 and a molecular weight of 367.44 g/mol. Its IUPAC name is 1-[4-(3,4-difluorophenyl)-1,4-diazepan-1-yl]-2-(1-methoxypiperidin-4-yl)ethanone.

Molecular Properties

Compound Name1-[4-(3,4-difluorophenyl)-1,4-diazepan-1-yl]-2-(1-methoxypiperidin-4-yl)ethanone
PubChem CID155952819
Molecular FormulaC19H27F2N3O2
Molecular Weight367.44 g/mol
Exact Mass367.21
IUPAC Name1-[4-(3,4-difluorophenyl)-1,4-diazepan-1-yl]-2-(1-methoxypiperidin-4-yl)ethanone
SMILESCON1CCC(CC(=O)N2CCCN(c3ccc(F)c(F)c3)CC2)CC1
InChIInChI=1S/C19H27F2N3O2/c1-26-24-9-5-15(6-10-24)13-19(25)23-8-2-7-22(11-12-23)16-3-4-17(20)18(21)14-16/h3-4,14-15H,2,5-13H2,1H3
InChIKeyAGQMFKXJZDUHPD-UHFFFAOYSA-N
XLogP2.67
TPSA36.02 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500367.44
LogP ≤ 52.67
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

Analyze 1-[4-(3,4-difluorophenyl)-1,4-diazepan-1-yl]-2-(1-methoxypiperidin-4-yl)ethanone with MolForge

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Related Compounds

tert-butyl 4-[2-[4-(4-fluorophenyl)-1,4-diazepan-1-yl]-2-oxoethyl]piperidine-1-carboxylate
CID 86852948
(3-cyclopropyl-1-methylpyrazol-4-yl)-[4-(3,4-difluorophenyl)-1,4-diazepan-1-yl]methanone
CID 136543794
2-[1-[2-(azetidin-1-yl)-2-oxoethyl]piperidin-4-yl]-1-(4-phenylpiperazin-1-yl)ethanone
CID 92633834
2-cyclopentyl-1-[4-(2,4-difluorophenyl)sulfonylpiperazin-1-yl]ethanone
CID 9302375
N-carbamoylacetamide;3-cyclopropyl-1-[4-(3,4-difluorophenyl)piperazin-1-yl]propan-1-one
CID 145108973
1-[4-(4-chlorophenyl)piperazin-1-yl]-2-piperidin-4-ylethanone
CID 119843563
2-cyclohexyl-1-(4-phenylpiperazin-1-yl)ethanone
CID 806694
(E)-1-[4-(3,4-difluorophenyl)-1,4-diazepan-1-yl]-4-pyrrolidin-1-ylbut-2-en-1-one
CID 166318667
N-cyclopropyl-4-(3,4-difluorophenyl)piperazine-1-carboxamide
CID 113081399
ethane;methyl 1-(3,4-difluorophenyl)piperidine-4-carboxylate
CID 144968521
methyl 3-[1-(3,4-difluorophenyl)pyrrolidin-3-yl]propanoate
CID 83981606
1-[4-(3,4-difluorophenyl)piperazin-1-yl]-2-(3-methylphenyl)ethanone
CID 113081387

Frequently Asked Questions

What is the IUPAC name of 1-[4-(3,4-difluorophenyl)-1,4-diazepan-1-yl]-2-(1-methoxypiperidin-4-yl)ethanone?
The IUPAC name of 1-[4-(3,4-difluorophenyl)-1,4-diazepan-1-yl]-2-(1-methoxypiperidin-4-yl)ethanone (CID 155952819) is 1-[4-(3,4-difluorophenyl)-1,4-diazepan-1-yl]-2-(1-methoxypiperidin-4-yl)ethanone.
What is the SMILES notation for 1-[4-(3,4-difluorophenyl)-1,4-diazepan-1-yl]-2-(1-methoxypiperidin-4-yl)ethanone?
The canonical SMILES for 1-[4-(3,4-difluorophenyl)-1,4-diazepan-1-yl]-2-(1-methoxypiperidin-4-yl)ethanone is CON1CCC(CC(=O)N2CCCN(c3ccc(F)c(F)c3)CC2)CC1.
What is the InChIKey of 1-[4-(3,4-difluorophenyl)-1,4-diazepan-1-yl]-2-(1-methoxypiperidin-4-yl)ethanone?
The InChIKey is AGQMFKXJZDUHPD-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H27F2N3O2/c1-26-24-9-5-15(6-10-24)13-19(25)23-8-2-7-22(11-12-23)16-3-4-17(20)18(21)14-16/h3-4,14-15H,2,5-13H2,1H3.
What are the key properties of 1-[4-(3,4-difluorophenyl)-1,4-diazepan-1-yl]-2-(1-methoxypiperidin-4-yl)ethanone?
1-[4-(3,4-difluorophenyl)-1,4-diazepan-1-yl]-2-(1-methoxypiperidin-4-yl)ethanone has a molecular weight of 367.44 g/mol, XLogP of 2.67, 4 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[4-(3,4-difluorophenyl)-1,4-diazepan-1-yl]-2-(1-methoxypiperidin-4-yl)ethanone is sourced from PubChem (CID 155952819), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).