N-[4-[1-(2,2-dimethylpropylcarbamoyl)piperidin-4-yl]phenyl]-4,6-difluoro-1,3-dihydroisoindole-2-carboxamide

C26H32F2N4O2 — CID 176960821

IUPACN-[4-[1-(2,2-dimethylpropylcarbamoyl)piperidin-4-yl]phenyl]-4,6-difluoro-1,3-dihydroisoindole-2-carboxamide
SMILESCC(C)(C)CNC(=O)N1CCC(c2ccc(NC(=O)N3Cc4cc(F)cc(F)c4C3)cc2)CC1
InChIInChI=1S/C26H32F2N4O2/c1-26(2,3)16-29-24(33)31-10-8-18(9-11-31)17-4-6-21(7-5-17)30-25(34)32-14-19-12-20(27)13-23(28)22(19)15-32/h4-7,12-13,18H,8-11,14-16H2,1-3H3,(H,29,33)(H,30,34)
InChIKeyLHOYANDBBBHQDG-UHFFFAOYSA-N
MW470.56 g/mol
LogP5.45
Rot. Bonds3

About N-[4-[1-(2,2-dimethylpropylcarbamoyl)piperidin-4-yl]phenyl]-4,6-difluoro-1,3-dihydroisoindole-2-carboxamide

N-[4-[1-(2,2-dimethylpropylcarbamoyl)piperidin-4-yl]phenyl]-4,6-difluoro-1,3-dihydroisoindole-2-carboxamide (PubChem CID 176960821) has the molecular formula C26H32F2N4O2 and a molecular weight of 470.56 g/mol. Its IUPAC name is N-[4-[1-(2,2-dimethylpropylcarbamoyl)piperidin-4-yl]phenyl]-4,6-difluoro-1,3-dihydroisoindole-2-carboxamide.

Molecular Properties

Compound NameN-[4-[1-(2,2-dimethylpropylcarbamoyl)piperidin-4-yl]phenyl]-4,6-difluoro-1,3-dihydroisoindole-2-carboxamide
PubChem CID176960821
Molecular FormulaC26H32F2N4O2
Molecular Weight470.56 g/mol
Exact Mass470.25
IUPAC NameN-[4-[1-(2,2-dimethylpropylcarbamoyl)piperidin-4-yl]phenyl]-4,6-difluoro-1,3-dihydroisoindole-2-carboxamide
SMILESCC(C)(C)CNC(=O)N1CCC(c2ccc(NC(=O)N3Cc4cc(F)cc(F)c4C3)cc2)CC1
InChIInChI=1S/C26H32F2N4O2/c1-26(2,3)16-29-24(33)31-10-8-18(9-11-31)17-4-6-21(7-5-17)30-25(34)32-14-19-12-20(27)13-23(28)22(19)15-32/h4-7,12-13,18H,8-11,14-16H2,1-3H3,(H,29,33)(H,30,34)
InChIKeyLHOYANDBBBHQDG-UHFFFAOYSA-N
XLogP5.45
TPSA64.68 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms34
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500470.56
LogP ≤ 55.45
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Related Compounds

4,6-difluoro-N-[4-[1-(2-fluoroethylcarbamoyl)piperidin-4-yl]phenyl]-1,3-dihydroisoindole-2-carboxamide
CID 176960577
N-[4-[4-(dihydroxymethyl)cyclohexyl]phenyl]-4,6-difluoro-1,3-dihydroisoindole-2-carboxamide
CID 176960746
N-(4-cyclohexylphenyl)-4-methylpiperazine-1-carboxamide
CID 166373547
N-[4-[(3aR,6aR)-5-methyl-2,3,3a,4,6,6a-hexahydropyrrolo[2,3-c]pyrrol-1-yl]phenyl]-4-(4-fluorophenyl)piperidine-1-carboxamide
CID 59558062
N-(4-hydroxyphenyl)-4-(4-methoxyphenyl)piperidine-1-carboxamide
CID 71166547
3-fluoro-N-[4-(1-sulfamoylpiperidin-4-yl)phenyl]-5,7-dihydropyrrolo[3,4-b]pyridine-6-carboxamide
CID 176961054
N-(3,5-difluoro-2-pyridinyl)-4-[4-[(3-ethoxyphenyl)carbamoylamino]phenyl]piperidine-1-carboxamide
CID 69452897
4-(3,4-difluorobenzoyl)-N-(2,2-dimethylpropyl)piperazine-1-carboxamide
CID 110810845
3-fluoro-N-[4-[1-[methyl(oxan-4-ylmethyl)carbamoyl]piperidin-4-yl]phenyl]-5,7-dihydropyrrolo[3,4-b]pyridine-6-carboxamide
CID 176960841
N-(4-cyclohexylphenyl)-1,3-dihydroisoindole-2-carboxamide;ethane
CID 176960927
4-amino-N-(4-fluorophenyl)piperidine-1-carboxamide
CID 16773171
N-(4-fluorophenyl)-4-sulfanylpiperidine-1-carboxamide
CID 123534187

Frequently Asked Questions

What is the IUPAC name of N-[4-[1-(2,2-dimethylpropylcarbamoyl)piperidin-4-yl]phenyl]-4,6-difluoro-1,3-dihydroisoindole-2-carboxamide?
The IUPAC name of N-[4-[1-(2,2-dimethylpropylcarbamoyl)piperidin-4-yl]phenyl]-4,6-difluoro-1,3-dihydroisoindole-2-carboxamide (CID 176960821) is N-[4-[1-(2,2-dimethylpropylcarbamoyl)piperidin-4-yl]phenyl]-4,6-difluoro-1,3-dihydroisoindole-2-carboxamide.
What is the SMILES notation for N-[4-[1-(2,2-dimethylpropylcarbamoyl)piperidin-4-yl]phenyl]-4,6-difluoro-1,3-dihydroisoindole-2-carboxamide?
The canonical SMILES for N-[4-[1-(2,2-dimethylpropylcarbamoyl)piperidin-4-yl]phenyl]-4,6-difluoro-1,3-dihydroisoindole-2-carboxamide is CC(C)(C)CNC(=O)N1CCC(c2ccc(NC(=O)N3Cc4cc(F)cc(F)c4C3)cc2)CC1.
What is the InChIKey of N-[4-[1-(2,2-dimethylpropylcarbamoyl)piperidin-4-yl]phenyl]-4,6-difluoro-1,3-dihydroisoindole-2-carboxamide?
The InChIKey is LHOYANDBBBHQDG-UHFFFAOYSA-N. The full InChI is InChI=1S/C26H32F2N4O2/c1-26(2,3)16-29-24(33)31-10-8-18(9-11-31)17-4-6-21(7-5-17)30-25(34)32-14-19-12-20(27)13-23(28)22(19)15-32/h4-7,12-13,18H,8-11,14-16H2,1-3H3,(H,29,33)(H,30,34).
What are the key properties of N-[4-[1-(2,2-dimethylpropylcarbamoyl)piperidin-4-yl]phenyl]-4,6-difluoro-1,3-dihydroisoindole-2-carboxamide?
N-[4-[1-(2,2-dimethylpropylcarbamoyl)piperidin-4-yl]phenyl]-4,6-difluoro-1,3-dihydroisoindole-2-carboxamide has a molecular weight of 470.56 g/mol, XLogP of 5.45, 3 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-[4-[1-(2,2-dimethylpropylcarbamoyl)piperidin-4-yl]phenyl]-4,6-difluoro-1,3-dihydroisoindole-2-carboxamide is sourced from PubChem (CID 176960821), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).