3-(3,4-difluorophenyl)-N-[3-(4,4-dimethylpiperidin-1-yl)propyl]morpholine-4-carboxamide

C21H31F2N3O2 — CID 22977444

IUPAC3-(3,4-difluorophenyl)-N-[3-(4,4-dimethylpiperidin-1-yl)propyl]morpholine-4-carboxamide
SMILESCC1(C)CCN(CCCNC(=O)N2CCOCC2c2ccc(F)c(F)c2)CC1
InChIInChI=1S/C21H31F2N3O2/c1-21(2)6-10-25(11-7-21)9-3-8-24-20(27)26-12-13-28-15-19(26)16-4-5-17(22)18(23)14-16/h4-5,14,19H,3,6-13,15H2,1-2H3,(H,24,27)
InChIKeyPYPMLEUQTPGHCA-UHFFFAOYSA-N
MW395.49 g/mol
LogP3.56
Rot. Bonds5

About 3-(3,4-difluorophenyl)-N-[3-(4,4-dimethylpiperidin-1-yl)propyl]morpholine-4-carboxamide

3-(3,4-difluorophenyl)-N-[3-(4,4-dimethylpiperidin-1-yl)propyl]morpholine-4-carboxamide (PubChem CID 22977444) has the molecular formula C21H31F2N3O2 and a molecular weight of 395.49 g/mol. Its IUPAC name is 3-(3,4-difluorophenyl)-N-[3-(4,4-dimethylpiperidin-1-yl)propyl]morpholine-4-carboxamide.

Molecular Properties

Compound Name3-(3,4-difluorophenyl)-N-[3-(4,4-dimethylpiperidin-1-yl)propyl]morpholine-4-carboxamide
PubChem CID22977444
Molecular FormulaC21H31F2N3O2
Molecular Weight395.49 g/mol
Exact Mass395.24
IUPAC Name3-(3,4-difluorophenyl)-N-[3-(4,4-dimethylpiperidin-1-yl)propyl]morpholine-4-carboxamide
SMILESCC1(C)CCN(CCCNC(=O)N2CCOCC2c2ccc(F)c(F)c2)CC1
InChIInChI=1S/C21H31F2N3O2/c1-21(2)6-10-25(11-7-21)9-3-8-24-20(27)26-12-13-28-15-19(26)16-4-5-17(22)18(23)14-16/h4-5,14,19H,3,6-13,15H2,1-2H3,(H,24,27)
InChIKeyPYPMLEUQTPGHCA-UHFFFAOYSA-N
XLogP3.56
TPSA44.81 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500395.49
LogP ≤ 53.56
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}

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Related Compounds

N-[3-(4,4-diphenylpiperidin-1-yl)propyl]-3-(4-fluoro-3-phosphanylphenyl)morpholine-4-carboxamide
CID 142000825
3-(3,4-difluorophenyl)-N-[3-(4,4-diphenylpiperidin-1-yl)propyl]morpholine-4-carboxamide;3-(3,4-difluorophenyl)morpholine;(4-methylphenyl) N-[3-(4,4-diphenylpiperidin-1-yl)propyl]carbamate;nitrobenzene
CID 90902099
4-(3,4-difluorophenyl)-2-oxo-N-(3-spiro[piperidine-4,9'-thioxanthene]-1-ylpropyl)-1,3-oxazolidine-3-carboxamide
CID 18740743
N-[3-[4-cyano-4-(2,4-dichlorophenyl)piperidin-1-yl]propyl]-4-(3,4-difluorophenyl)-2-oxo-1,3-oxazolidine-3-carboxamide
CID 22993495
(4S)-N-[3-(2'-chlorospiro[piperidine-4,9'-xanthene]-1-yl)propyl]-4-(3,4-difluorophenyl)-2-oxo-1,3-oxazolidine-3-carboxamide
CID 10281391
(2S,4S)-2-(3,4-difluorophenyl)-N-[3-[4-(4-fluorophenyl)piperidin-1-yl]propyl]-4-methyl-6-oxopiperidine-1-carboxamide;hydrochloride
CID 70239987
1-[4-(3,4-difluorophenyl)-2-oxo-1,3-oxazolidin-3-yl]-3-[3-[4-(5-methylthiophen-2-yl)piperidin-1-yl]propyl]urea
CID 139908159
(2S)-N-[3-[4-cyano-4-(2-cyanophenyl)piperidin-1-yl]propyl]-2-(3,4-difluorophenyl)-6-oxopiperidine-1-carboxamide;hydrochloride
CID 20709240
3,4-difluoro-N-(4-morpholin-4-ylbutyl)benzamide
CID 51082239
4-fluoro-2-methyl-N-(3-morpholin-4-ylpropyl)benzamide
CID 115745095
(2R)-N-(5-morpholin-4-ylpentyl)-2-phenylpyrrolidine-1-carboxamide
CID 126450255
tert-butyl N-[3-[(2S)-2-(3,4-difluorophenyl)morpholin-4-yl]propyl]carbamate
CID 124889856

Frequently Asked Questions

What is the IUPAC name of 3-(3,4-difluorophenyl)-N-[3-(4,4-dimethylpiperidin-1-yl)propyl]morpholine-4-carboxamide?
The IUPAC name of 3-(3,4-difluorophenyl)-N-[3-(4,4-dimethylpiperidin-1-yl)propyl]morpholine-4-carboxamide (CID 22977444) is 3-(3,4-difluorophenyl)-N-[3-(4,4-dimethylpiperidin-1-yl)propyl]morpholine-4-carboxamide.
What is the SMILES notation for 3-(3,4-difluorophenyl)-N-[3-(4,4-dimethylpiperidin-1-yl)propyl]morpholine-4-carboxamide?
The canonical SMILES for 3-(3,4-difluorophenyl)-N-[3-(4,4-dimethylpiperidin-1-yl)propyl]morpholine-4-carboxamide is CC1(C)CCN(CCCNC(=O)N2CCOCC2c2ccc(F)c(F)c2)CC1.
What is the InChIKey of 3-(3,4-difluorophenyl)-N-[3-(4,4-dimethylpiperidin-1-yl)propyl]morpholine-4-carboxamide?
The InChIKey is PYPMLEUQTPGHCA-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H31F2N3O2/c1-21(2)6-10-25(11-7-21)9-3-8-24-20(27)26-12-13-28-15-19(26)16-4-5-17(22)18(23)14-16/h4-5,14,19H,3,6-13,15H2,1-2H3,(H,24,27).
What are the key properties of 3-(3,4-difluorophenyl)-N-[3-(4,4-dimethylpiperidin-1-yl)propyl]morpholine-4-carboxamide?
3-(3,4-difluorophenyl)-N-[3-(4,4-dimethylpiperidin-1-yl)propyl]morpholine-4-carboxamide has a molecular weight of 395.49 g/mol, XLogP of 3.56, 5 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(3,4-difluorophenyl)-N-[3-(4,4-dimethylpiperidin-1-yl)propyl]morpholine-4-carboxamide is sourced from PubChem (CID 22977444), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).