(3R)-3-N-(2,6-difluorophenyl)-1-N-(2-methylpropyl)piperidine-1,3-dicarboxamide

C17H23F2N3O2 — CID 95981578

IUPAC(3R)-3-N-(2,6-difluorophenyl)-1-N-(2-methylpropyl)piperidine-1,3-dicarboxamide
SMILESCC(C)CNC(=O)N1CCC[C@@H](C(=O)Nc2c(F)cccc2F)C1
InChIInChI=1S/C17H23F2N3O2/c1-11(2)9-20-17(24)22-8-4-5-12(10-22)16(23)21-15-13(18)6-3-7-14(15)19/h3,6-7,11-12H,4-5,8-10H2,1-2H3,(H,20,24)(H,21,23)/t12-/m1/s1
InChIKeyZXBQMLXHVJVDMD-GFCCVEGCSA-N
MW339.39 g/mol
LogP2.98
Rot. Bonds4

About (3R)-3-N-(2,6-difluorophenyl)-1-N-(2-methylpropyl)piperidine-1,3-dicarboxamide

(3R)-3-N-(2,6-difluorophenyl)-1-N-(2-methylpropyl)piperidine-1,3-dicarboxamide (PubChem CID 95981578) has the molecular formula C17H23F2N3O2 and a molecular weight of 339.39 g/mol. Its IUPAC name is (3R)-3-N-(2,6-difluorophenyl)-1-N-(2-methylpropyl)piperidine-1,3-dicarboxamide.

Molecular Properties

Compound Name(3R)-3-N-(2,6-difluorophenyl)-1-N-(2-methylpropyl)piperidine-1,3-dicarboxamide
PubChem CID95981578
Molecular FormulaC17H23F2N3O2
Molecular Weight339.39 g/mol
Exact Mass339.18
IUPAC Name(3R)-3-N-(2,6-difluorophenyl)-1-N-(2-methylpropyl)piperidine-1,3-dicarboxamide
SMILESCC(C)CNC(=O)N1CCC[C@@H](C(=O)Nc2c(F)cccc2F)C1
InChIInChI=1S/C17H23F2N3O2/c1-11(2)9-20-17(24)22-8-4-5-12(10-22)16(23)21-15-13(18)6-3-7-14(15)19/h3,6-7,11-12H,4-5,8-10H2,1-2H3,(H,20,24)(H,21,23)/t12-/m1/s1
InChIKeyZXBQMLXHVJVDMD-GFCCVEGCSA-N
XLogP2.98
TPSA61.44 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500339.39
LogP ≤ 52.98
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Related Compounds

3-N-[2-(2-aminoethylcarbamoyl)phenyl]-1-N-(2-methylpropyl)piperidine-1,3-dicarboxamide
CID 120603479
(3R)-1-(2-methylpropylcarbamoyl)piperidine-3-carboxylic acid
CID 28511990
3-N-cyclooctyl-1-N-(2-methylpropyl)piperidine-1,3-dicarboxamide
CID 166212919
(2R)-2-[[1-(2-methylpropylcarbamoyl)piperidine-3-carbonyl]amino]propanoic acid
CID 119243904
3-N-(5-amino-2-methylphenyl)-1-N-(2-methylpropyl)piperidine-1,3-dicarboxamide;hydrochloride
CID 120568216
(3S)-3-N-(2-ethoxy-3-pyridinyl)-1-N-(2-methylpropyl)piperidine-1,3-dicarboxamide
CID 95775889
3-N-[(2-fluorophenyl)methyl]-1-N-propan-2-ylpiperidine-1,3-dicarboxamide
CID 42959130
N-(2-aminoethyl)-1-[1-(2-methylpropylcarbamoyl)piperidine-3-carbonyl]piperidine-3-carboxamide
CID 119480787
1-[3-[(2-fluorobenzoyl)amino]benzoyl]-N-(2-methylpropyl)piperidine-3-carboxamide
CID 50829352
N-(2,6-difluorophenyl)-4-(3-methylpiperidine-1-carbonyl)cyclohexane-1-carboxamide
CID 109150123
3-N-[2-(ethylamino)ethyl]-1-N-(2-methylpropyl)piperidine-1,3-dicarboxamide
CID 119506996
3-N-[(2R)-2-(ethylamino)propyl]-1-N-(2-methylpropyl)piperidine-1,3-dicarboxamide
CID 120650995

Frequently Asked Questions

What is the IUPAC name of (3R)-3-N-(2,6-difluorophenyl)-1-N-(2-methylpropyl)piperidine-1,3-dicarboxamide?
The IUPAC name of (3R)-3-N-(2,6-difluorophenyl)-1-N-(2-methylpropyl)piperidine-1,3-dicarboxamide (CID 95981578) is (3R)-3-N-(2,6-difluorophenyl)-1-N-(2-methylpropyl)piperidine-1,3-dicarboxamide.
What is the SMILES notation for (3R)-3-N-(2,6-difluorophenyl)-1-N-(2-methylpropyl)piperidine-1,3-dicarboxamide?
The canonical SMILES for (3R)-3-N-(2,6-difluorophenyl)-1-N-(2-methylpropyl)piperidine-1,3-dicarboxamide is CC(C)CNC(=O)N1CCC[C@@H](C(=O)Nc2c(F)cccc2F)C1.
What is the InChIKey of (3R)-3-N-(2,6-difluorophenyl)-1-N-(2-methylpropyl)piperidine-1,3-dicarboxamide?
The InChIKey is ZXBQMLXHVJVDMD-GFCCVEGCSA-N. The full InChI is InChI=1S/C17H23F2N3O2/c1-11(2)9-20-17(24)22-8-4-5-12(10-22)16(23)21-15-13(18)6-3-7-14(15)19/h3,6-7,11-12H,4-5,8-10H2,1-2H3,(H,20,24)(H,21,23)/t12-/m1/s1.
What are the key properties of (3R)-3-N-(2,6-difluorophenyl)-1-N-(2-methylpropyl)piperidine-1,3-dicarboxamide?
(3R)-3-N-(2,6-difluorophenyl)-1-N-(2-methylpropyl)piperidine-1,3-dicarboxamide has a molecular weight of 339.39 g/mol, XLogP of 2.98, 4 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (3R)-3-N-(2,6-difluorophenyl)-1-N-(2-methylpropyl)piperidine-1,3-dicarboxamide is sourced from PubChem (CID 95981578), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).