N-[(3,5-difluorophenyl)methyl]-N'-[3-(1H-indol-3-yl)-1-oxo-1-piperidin-1-ylpropan-2-yl]-2-methylpropanediamide

C27H30F2N4O3 — CID 69283624

IUPACN-[(3,5-difluorophenyl)methyl]-N'-[3-(1H-indol-3-yl)-1-oxo-1-piperidin-1-ylpropan-2-yl]-2-methylpropanediamide
SMILESCC(C(=O)NCc1cc(F)cc(F)c1)C(=O)NC(Cc1c[nH]c2ccccc12)C(=O)N1CCCCC1
InChIInChI=1S/C27H30F2N4O3/c1-17(25(34)31-15-18-11-20(28)14-21(29)12-18)26(35)32-24(27(36)33-9-5-2-6-10-33)13-19-16-30-23-8-4-3-7-22(19)23/h3-4,7-8,11-12,14,16-17,24,30H,2,5-6,9-10,13,15H2,1H3,(H,31,34)(H,32,35)
InChIKeyFVXLGIBYMWJBIT-UHFFFAOYSA-N
MW496.56 g/mol
LogP3.44
Rot. Bonds8

About N-[(3,5-difluorophenyl)methyl]-N'-[3-(1H-indol-3-yl)-1-oxo-1-piperidin-1-ylpropan-2-yl]-2-methylpropanediamide

N-[(3,5-difluorophenyl)methyl]-N'-[3-(1H-indol-3-yl)-1-oxo-1-piperidin-1-ylpropan-2-yl]-2-methylpropanediamide (PubChem CID 69283624) has the molecular formula C27H30F2N4O3 and a molecular weight of 496.56 g/mol. Its IUPAC name is N-[(3,5-difluorophenyl)methyl]-N'-[3-(1H-indol-3-yl)-1-oxo-1-piperidin-1-ylpropan-2-yl]-2-methylpropanediamide.

Molecular Properties

Compound NameN-[(3,5-difluorophenyl)methyl]-N'-[3-(1H-indol-3-yl)-1-oxo-1-piperidin-1-ylpropan-2-yl]-2-methylpropanediamide
PubChem CID69283624
Molecular FormulaC27H30F2N4O3
Molecular Weight496.56 g/mol
Exact Mass496.23
IUPAC NameN-[(3,5-difluorophenyl)methyl]-N'-[3-(1H-indol-3-yl)-1-oxo-1-piperidin-1-ylpropan-2-yl]-2-methylpropanediamide
SMILESCC(C(=O)NCc1cc(F)cc(F)c1)C(=O)NC(Cc1c[nH]c2ccccc12)C(=O)N1CCCCC1
InChIInChI=1S/C27H30F2N4O3/c1-17(25(34)31-15-18-11-20(28)14-21(29)12-18)26(35)32-24(27(36)33-9-5-2-6-10-33)13-19-16-30-23-8-4-3-7-22(19)23/h3-4,7-8,11-12,14,16-17,24,30H,2,5-6,9-10,13,15H2,1H3,(H,31,34)(H,32,35)
InChIKeyFVXLGIBYMWJBIT-UHFFFAOYSA-N
XLogP3.44
TPSA94.30 Ų
H-Bond Donors3
H-Bond Acceptors3
Rotatable Bonds8
Heavy Atoms36
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500496.56
LogP ≤ 53.44
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'beta-keto/anhydride', 'substructure': 'N/A'}

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Related Compounds

N-[(3,5-difluorophenyl)methyl]-N'-[3-(1H-indol-3-yl)-1-(2-methylpiperidin-1-yl)-1-oxopropan-2-yl]-2-methylpropanediamide
CID 69282367
N-[(3,5-difluorophenyl)methyl]-N'-[3-(1H-indol-3-yl)-1-[2-(methoxymethyl)pyrrolidin-1-yl]-1-oxopropan-2-yl]-2-methylpropanediamide
CID 69280040
N-[1-(azepan-1-yl)-3-(1H-indol-3-yl)-1-oxopropan-2-yl]-2-methylpropanamide
CID 55647817
N-[3-(1H-indol-3-yl)-1-oxo-1-piperidin-1-ylpropan-2-yl]-2-methylpropanamide
CID 42698643
N-[(3,5-difluorophenyl)methyl]-N'-[1-(3,4-dihydro-1H-isoquinolin-2-yl)-3-(1H-indol-3-yl)-1-oxopropan-2-yl]-2-propylpropanediamide
CID 69284196
N-[3-(1H-indol-3-yl)-1-[4-(2-methylpropanoyl)piperazin-1-yl]-1-oxopropan-2-yl]-2-methylpropanamide
CID 55647922
2-(1H-indol-3-yl)-N-(1-oxo-3-phenyl-1-pyrrolidin-1-ylpropan-2-yl)acetamide
CID 47090271
N-[(2S)-3-(1H-indol-3-yl)-1-oxo-1-pyrrolidin-1-ylpropan-2-yl]-2,2-dimethylpropanamide
CID 110286392
N-[(2S)-3-(1H-indol-3-yl)-1-oxo-1-piperidin-1-ylpropan-2-yl]-2-methylbenzamide
CID 110286442
N-[(3,5-difluorophenyl)methyl]-N'-[1-(3,4-dihydro-1H-isoquinolin-2-yl)-3-(1H-indol-3-yl)-1-oxopropan-2-yl]-2-fluoro-2-methylpropanediamide
CID 69282750
N-[3-(1H-indol-3-yl)-1-oxo-1-piperidin-1-ylpropan-2-yl]-2-phenylsulfanylacetamide
CID 42698658
N-[3-(1H-indol-3-yl)-1-[4-[(3-methylphenyl)methyl]piperazin-1-yl]-1-oxopropan-2-yl]-2-methylpropanamide
CID 55650708

Frequently Asked Questions

What is the IUPAC name of N-[(3,5-difluorophenyl)methyl]-N'-[3-(1H-indol-3-yl)-1-oxo-1-piperidin-1-ylpropan-2-yl]-2-methylpropanediamide?
The IUPAC name of N-[(3,5-difluorophenyl)methyl]-N'-[3-(1H-indol-3-yl)-1-oxo-1-piperidin-1-ylpropan-2-yl]-2-methylpropanediamide (CID 69283624) is N-[(3,5-difluorophenyl)methyl]-N'-[3-(1H-indol-3-yl)-1-oxo-1-piperidin-1-ylpropan-2-yl]-2-methylpropanediamide.
What is the SMILES notation for N-[(3,5-difluorophenyl)methyl]-N'-[3-(1H-indol-3-yl)-1-oxo-1-piperidin-1-ylpropan-2-yl]-2-methylpropanediamide?
The canonical SMILES for N-[(3,5-difluorophenyl)methyl]-N'-[3-(1H-indol-3-yl)-1-oxo-1-piperidin-1-ylpropan-2-yl]-2-methylpropanediamide is CC(C(=O)NCc1cc(F)cc(F)c1)C(=O)NC(Cc1c[nH]c2ccccc12)C(=O)N1CCCCC1.
What is the InChIKey of N-[(3,5-difluorophenyl)methyl]-N'-[3-(1H-indol-3-yl)-1-oxo-1-piperidin-1-ylpropan-2-yl]-2-methylpropanediamide?
The InChIKey is FVXLGIBYMWJBIT-UHFFFAOYSA-N. The full InChI is InChI=1S/C27H30F2N4O3/c1-17(25(34)31-15-18-11-20(28)14-21(29)12-18)26(35)32-24(27(36)33-9-5-2-6-10-33)13-19-16-30-23-8-4-3-7-22(19)23/h3-4,7-8,11-12,14,16-17,24,30H,2,5-6,9-10,13,15H2,1H3,(H,31,34)(H,32,35).
What are the key properties of N-[(3,5-difluorophenyl)methyl]-N'-[3-(1H-indol-3-yl)-1-oxo-1-piperidin-1-ylpropan-2-yl]-2-methylpropanediamide?
N-[(3,5-difluorophenyl)methyl]-N'-[3-(1H-indol-3-yl)-1-oxo-1-piperidin-1-ylpropan-2-yl]-2-methylpropanediamide has a molecular weight of 496.56 g/mol, XLogP of 3.44, 8 rotatable bonds, 3 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(3,5-difluorophenyl)methyl]-N'-[3-(1H-indol-3-yl)-1-oxo-1-piperidin-1-ylpropan-2-yl]-2-methylpropanediamide is sourced from PubChem (CID 69283624), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).