1-(3,4-difluorobenzoyl)-N-methyl-N-(1-methylpiperidin-4-yl)azetidine-3-carboxamide

C18H23F2N3O2 — CID 90513583

IUPAC1-(3,4-difluorobenzoyl)-N-methyl-N-(1-methylpiperidin-4-yl)azetidine-3-carboxamide
SMILESCN1CCC(N(C)C(=O)C2CN(C(=O)c3ccc(F)c(F)c3)C2)CC1
InChIInChI=1S/C18H23F2N3O2/c1-21-7-5-14(6-8-21)22(2)17(24)13-10-23(11-13)18(25)12-3-4-15(19)16(20)9-12/h3-4,9,13-14H,5-8,10-11H2,1-2H3
InChIKeyZJUWMZWKENCHLA-UHFFFAOYSA-N
MW351.40 g/mol
LogP1.59
Rot. Bonds3

About 1-(3,4-difluorobenzoyl)-N-methyl-N-(1-methylpiperidin-4-yl)azetidine-3-carboxamide

1-(3,4-difluorobenzoyl)-N-methyl-N-(1-methylpiperidin-4-yl)azetidine-3-carboxamide (PubChem CID 90513583) has the molecular formula C18H23F2N3O2 and a molecular weight of 351.40 g/mol. Its IUPAC name is 1-(3,4-difluorobenzoyl)-N-methyl-N-(1-methylpiperidin-4-yl)azetidine-3-carboxamide.

Molecular Properties

Compound Name1-(3,4-difluorobenzoyl)-N-methyl-N-(1-methylpiperidin-4-yl)azetidine-3-carboxamide
PubChem CID90513583
Molecular FormulaC18H23F2N3O2
Molecular Weight351.40 g/mol
Exact Mass351.18
IUPAC Name1-(3,4-difluorobenzoyl)-N-methyl-N-(1-methylpiperidin-4-yl)azetidine-3-carboxamide
SMILESCN1CCC(N(C)C(=O)C2CN(C(=O)c3ccc(F)c(F)c3)C2)CC1
InChIInChI=1S/C18H23F2N3O2/c1-21-7-5-14(6-8-21)22(2)17(24)13-10-23(11-13)18(25)12-3-4-15(19)16(20)9-12/h3-4,9,13-14H,5-8,10-11H2,1-2H3
InChIKeyZJUWMZWKENCHLA-UHFFFAOYSA-N
XLogP1.59
TPSA43.86 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500351.40
LogP ≤ 51.59
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Analyze 1-(3,4-difluorobenzoyl)-N-methyl-N-(1-methylpiperidin-4-yl)azetidine-3-carboxamide with MolForge

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Related Compounds

1-(3,4-difluorobenzoyl)-N,N-di(propan-2-yl)azetidine-3-carboxamide
CID 90513447
1-(3,4-difluorobenzoyl)-N,N-dimethylpiperidine-4-carboxamide
CID 110350822
N-benzyl-1-(3,4-difluorobenzoyl)-N-methylazetidine-3-carboxamide
CID 90513547
(3,4-difluorophenyl)-(3-methylpyrrolidin-1-yl)methanone
CID 110749741
(3-amino-4-methylpyrrolidin-1-yl)-(3,4-difluorophenyl)methanone
CID 103576062
methyl 1-(3,4-difluorobenzoyl)piperidine-3-carboxylate
CID 78919125
methyl (3S)-1-(3,4-difluorobenzoyl)piperidine-3-carboxylate
CID 78919478
[1-(3,4-difluorobenzoyl)azetidin-3-yl]-(2,6-dimethylmorpholin-4-yl)methanone
CID 90513597
[(5aS,8aS)-4-methyl-3,5,5a,6,8,8a-hexahydro-2H-pyrrolo[3,4-f][1,4]oxazepin-7-yl]-(3,4-difluorophenyl)methanone
CID 97420155
1-(3,4-difluorobenzoyl)-N-(2,5-difluorophenyl)azetidine-3-carboxamide
CID 90513727
[(3R)-3-aminopyrrolidin-1-yl]-(3,4-difluorophenyl)methanone;hydrochloride
CID 119412532
(3R)-N-cyclohexyl-N,1-dimethylpyrrolidine-3-carboxamide
CID 134459454

Frequently Asked Questions

What is the IUPAC name of 1-(3,4-difluorobenzoyl)-N-methyl-N-(1-methylpiperidin-4-yl)azetidine-3-carboxamide?
The IUPAC name of 1-(3,4-difluorobenzoyl)-N-methyl-N-(1-methylpiperidin-4-yl)azetidine-3-carboxamide (CID 90513583) is 1-(3,4-difluorobenzoyl)-N-methyl-N-(1-methylpiperidin-4-yl)azetidine-3-carboxamide.
What is the SMILES notation for 1-(3,4-difluorobenzoyl)-N-methyl-N-(1-methylpiperidin-4-yl)azetidine-3-carboxamide?
The canonical SMILES for 1-(3,4-difluorobenzoyl)-N-methyl-N-(1-methylpiperidin-4-yl)azetidine-3-carboxamide is CN1CCC(N(C)C(=O)C2CN(C(=O)c3ccc(F)c(F)c3)C2)CC1.
What is the InChIKey of 1-(3,4-difluorobenzoyl)-N-methyl-N-(1-methylpiperidin-4-yl)azetidine-3-carboxamide?
The InChIKey is ZJUWMZWKENCHLA-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H23F2N3O2/c1-21-7-5-14(6-8-21)22(2)17(24)13-10-23(11-13)18(25)12-3-4-15(19)16(20)9-12/h3-4,9,13-14H,5-8,10-11H2,1-2H3.
What are the key properties of 1-(3,4-difluorobenzoyl)-N-methyl-N-(1-methylpiperidin-4-yl)azetidine-3-carboxamide?
1-(3,4-difluorobenzoyl)-N-methyl-N-(1-methylpiperidin-4-yl)azetidine-3-carboxamide has a molecular weight of 351.40 g/mol, XLogP of 1.59, 3 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(3,4-difluorobenzoyl)-N-methyl-N-(1-methylpiperidin-4-yl)azetidine-3-carboxamide is sourced from PubChem (CID 90513583), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).