N-[(2,6-difluoro-3-methylphenyl)methyl]-1-(2-morpholin-4-ylethyl)-6-oxopiperidine-3-carboxamide

C20H27F2N3O3 — CID 24817107

IUPACN-[(2,6-difluoro-3-methylphenyl)methyl]-1-(2-morpholin-4-ylethyl)-6-oxopiperidine-3-carboxamide
SMILESCc1ccc(F)c(CNC(=O)C2CCC(=O)N(CCN3CCOCC3)C2)c1F
InChIInChI=1S/C20H27F2N3O3/c1-14-2-4-17(21)16(19(14)22)12-23-20(27)15-3-5-18(26)25(13-15)7-6-24-8-10-28-11-9-24/h2,4,15H,3,5-13H2,1H3,(H,23,27)
InChIKeyAIGCMLPNBYHYEC-UHFFFAOYSA-N
MW395.45 g/mol
LogP1.46
Rot. Bonds6

About N-[(2,6-difluoro-3-methylphenyl)methyl]-1-(2-morpholin-4-ylethyl)-6-oxopiperidine-3-carboxamide

N-[(2,6-difluoro-3-methylphenyl)methyl]-1-(2-morpholin-4-ylethyl)-6-oxopiperidine-3-carboxamide (PubChem CID 24817107) has the molecular formula C20H27F2N3O3 and a molecular weight of 395.45 g/mol. Its IUPAC name is N-[(2,6-difluoro-3-methylphenyl)methyl]-1-(2-morpholin-4-ylethyl)-6-oxopiperidine-3-carboxamide.

Molecular Properties

Compound NameN-[(2,6-difluoro-3-methylphenyl)methyl]-1-(2-morpholin-4-ylethyl)-6-oxopiperidine-3-carboxamide
PubChem CID24817107
Molecular FormulaC20H27F2N3O3
Molecular Weight395.45 g/mol
Exact Mass395.20
IUPAC NameN-[(2,6-difluoro-3-methylphenyl)methyl]-1-(2-morpholin-4-ylethyl)-6-oxopiperidine-3-carboxamide
SMILESCc1ccc(F)c(CNC(=O)C2CCC(=O)N(CCN3CCOCC3)C2)c1F
InChIInChI=1S/C20H27F2N3O3/c1-14-2-4-17(21)16(19(14)22)12-23-20(27)15-3-5-18(26)25(13-15)7-6-24-8-10-28-11-9-24/h2,4,15H,3,5-13H2,1H3,(H,23,27)
InChIKeyAIGCMLPNBYHYEC-UHFFFAOYSA-N
XLogP1.46
TPSA61.88 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500395.45
LogP ≤ 51.46
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Analyze N-[(2,6-difluoro-3-methylphenyl)methyl]-1-(2-morpholin-4-ylethyl)-6-oxopiperidine-3-carboxamide with MolForge

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Related Compounds

N-cyclohexyl-6-oxo-1-[3-(trifluoromethyl)benzyl]-3-piperidinecarboxamide
CID 24791142
5-{[4-(Methoxymethyl)-1-piperidinyl]carbonyl}-1-[3-(trifluoromethyl)benzyl]-2-piperidinone
CID 24794332
N-(3-fluorobenzyl)-1-[2-(3-fluorophenyl)ethyl]-6-oxo-3-piperidinecarboxamide
CID 24816630
2-[1-(3-fluorobenzyl)-3-oxo-2-piperazinyl]-N-[5-(4-morpholinyl)pentyl]acetamide
CID 24817844
6-oxo-N-(tetrahydro-2H-pyran-4-ylmethyl)-1-[3-(trifluoromethyl)benzyl]-3-piperidinecarboxamide
CID 24819450
4-keto-4-morpholino-N-[3-(trifluoromethyl)benzyl]butyramide
CID 25162200
US11077113, Example 12
CID 162533422
US11179399, Example 13
CID 163200003
US11179399, Example 13_1
CID 163200004
US11179399, Example 13_2
CID 163200005
US11179399, Example 14
CID 163200006
US11179399, Example 14_1
CID 163200007

Frequently Asked Questions

What is the IUPAC name of N-[(2,6-difluoro-3-methylphenyl)methyl]-1-(2-morpholin-4-ylethyl)-6-oxopiperidine-3-carboxamide?
The IUPAC name of N-[(2,6-difluoro-3-methylphenyl)methyl]-1-(2-morpholin-4-ylethyl)-6-oxopiperidine-3-carboxamide (CID 24817107) is N-[(2,6-difluoro-3-methylphenyl)methyl]-1-(2-morpholin-4-ylethyl)-6-oxopiperidine-3-carboxamide.
What is the SMILES notation for N-[(2,6-difluoro-3-methylphenyl)methyl]-1-(2-morpholin-4-ylethyl)-6-oxopiperidine-3-carboxamide?
The canonical SMILES for N-[(2,6-difluoro-3-methylphenyl)methyl]-1-(2-morpholin-4-ylethyl)-6-oxopiperidine-3-carboxamide is Cc1ccc(F)c(CNC(=O)C2CCC(=O)N(CCN3CCOCC3)C2)c1F.
What is the InChIKey of N-[(2,6-difluoro-3-methylphenyl)methyl]-1-(2-morpholin-4-ylethyl)-6-oxopiperidine-3-carboxamide?
The InChIKey is AIGCMLPNBYHYEC-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H27F2N3O3/c1-14-2-4-17(21)16(19(14)22)12-23-20(27)15-3-5-18(26)25(13-15)7-6-24-8-10-28-11-9-24/h2,4,15H,3,5-13H2,1H3,(H,23,27).
What are the key properties of N-[(2,6-difluoro-3-methylphenyl)methyl]-1-(2-morpholin-4-ylethyl)-6-oxopiperidine-3-carboxamide?
N-[(2,6-difluoro-3-methylphenyl)methyl]-1-(2-morpholin-4-ylethyl)-6-oxopiperidine-3-carboxamide has a molecular weight of 395.45 g/mol, XLogP of 1.46, 6 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(2,6-difluoro-3-methylphenyl)methyl]-1-(2-morpholin-4-ylethyl)-6-oxopiperidine-3-carboxamide is sourced from PubChem (CID 24817107), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).