1-N-(2,4-difluorophenyl)-3-N,3-N-diethylpiperidine-1,3-dicarboxamide

C17H23F2N3O2 — CID 42695569

IUPAC1-N-(2,4-difluorophenyl)-3-N,3-N-diethylpiperidine-1,3-dicarboxamide
SMILESCCN(CC)C(=O)C1CCCN(C(=O)Nc2ccc(F)cc2F)C1
InChIInChI=1S/C17H23F2N3O2/c1-3-21(4-2)16(23)12-6-5-9-22(11-12)17(24)20-15-8-7-13(18)10-14(15)19/h7-8,10,12H,3-6,9,11H2,1-2H3,(H,20,24)
InChIKeyQEEMGENSNXDZJL-UHFFFAOYSA-N
MW339.39 g/mol
LogP3.08
Rot. Bonds4

About 1-N-(2,4-difluorophenyl)-3-N,3-N-diethylpiperidine-1,3-dicarboxamide

1-N-(2,4-difluorophenyl)-3-N,3-N-diethylpiperidine-1,3-dicarboxamide (PubChem CID 42695569) has the molecular formula C17H23F2N3O2 and a molecular weight of 339.39 g/mol. Its IUPAC name is 1-N-(2,4-difluorophenyl)-3-N,3-N-diethylpiperidine-1,3-dicarboxamide.

Molecular Properties

Compound Name1-N-(2,4-difluorophenyl)-3-N,3-N-diethylpiperidine-1,3-dicarboxamide
PubChem CID42695569
Molecular FormulaC17H23F2N3O2
Molecular Weight339.39 g/mol
Exact Mass339.18
IUPAC Name1-N-(2,4-difluorophenyl)-3-N,3-N-diethylpiperidine-1,3-dicarboxamide
SMILESCCN(CC)C(=O)C1CCCN(C(=O)Nc2ccc(F)cc2F)C1
InChIInChI=1S/C17H23F2N3O2/c1-3-21(4-2)16(23)12-6-5-9-22(11-12)17(24)20-15-8-7-13(18)10-14(15)19/h7-8,10,12H,3-6,9,11H2,1-2H3,(H,20,24)
InChIKeyQEEMGENSNXDZJL-UHFFFAOYSA-N
XLogP3.08
TPSA52.65 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500339.39
LogP ≤ 53.08
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

methyl 1-[(2,4-difluorophenyl)carbamoyl]piperidine-3-carboxylate
CID 78915679
(3S)-1-N-[4-[[(3S)-3-(diethylcarbamoyl)piperidine-1-carbonyl]amino]phenyl]-3-N,3-N-diethylpiperidine-1,3-dicarboxamide
CID 40620948
1-N-[3-[[3-(diethylcarbamoyl)piperidine-1-carbonyl]amino]phenyl]-3-N,3-N-diethylpiperidine-1,3-dicarboxamide
CID 3574463
(3S)-N-(2,4-difluorophenyl)-3-[(dimethylamino)methyl]piperidine-1-carboxamide
CID 94797423
1-N-(4-chlorophenyl)-3-N,3-N-diethylpiperidine-1,3-dicarboxamide
CID 3697126
methyl 4-[[(3R)-3-(diethylcarbamoyl)piperidine-1-carbonyl]amino]-3-methylbenzoate
CID 97284330
(3S)-N-(2,4-difluorophenyl)-3-(methylsulfonylmethyl)piperidine-1-carboxamide
CID 97271544
(3R)-3-amino-N-(2,4-difluorophenyl)piperidine-1-carboxamide
CID 102984073
(4S)-N-(2,4-difluorophenyl)-4-(dimethylamino)azepane-1-carboxamide
CID 95723660
N-(2,4-difluorophenyl)-3-[(propanoylamino)methyl]piperidine-1-carboxamide
CID 71840473
methyl 2-[[3-(diethylcarbamoyl)piperidine-1-carbonyl]amino]benzoate
CID 23994751
(3S)-N,N-diethyl-1-[2-(4-fluorophenyl)acetyl]piperidine-3-carboxamide
CID 94028091

Frequently Asked Questions

What is the IUPAC name of 1-N-(2,4-difluorophenyl)-3-N,3-N-diethylpiperidine-1,3-dicarboxamide?
The IUPAC name of 1-N-(2,4-difluorophenyl)-3-N,3-N-diethylpiperidine-1,3-dicarboxamide (CID 42695569) is 1-N-(2,4-difluorophenyl)-3-N,3-N-diethylpiperidine-1,3-dicarboxamide.
What is the SMILES notation for 1-N-(2,4-difluorophenyl)-3-N,3-N-diethylpiperidine-1,3-dicarboxamide?
The canonical SMILES for 1-N-(2,4-difluorophenyl)-3-N,3-N-diethylpiperidine-1,3-dicarboxamide is CCN(CC)C(=O)C1CCCN(C(=O)Nc2ccc(F)cc2F)C1.
What is the InChIKey of 1-N-(2,4-difluorophenyl)-3-N,3-N-diethylpiperidine-1,3-dicarboxamide?
The InChIKey is QEEMGENSNXDZJL-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H23F2N3O2/c1-3-21(4-2)16(23)12-6-5-9-22(11-12)17(24)20-15-8-7-13(18)10-14(15)19/h7-8,10,12H,3-6,9,11H2,1-2H3,(H,20,24).
What are the key properties of 1-N-(2,4-difluorophenyl)-3-N,3-N-diethylpiperidine-1,3-dicarboxamide?
1-N-(2,4-difluorophenyl)-3-N,3-N-diethylpiperidine-1,3-dicarboxamide has a molecular weight of 339.39 g/mol, XLogP of 3.08, 4 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-N-(2,4-difluorophenyl)-3-N,3-N-diethylpiperidine-1,3-dicarboxamide is sourced from PubChem (CID 42695569), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).