N-[1-[4-(difluoromethoxy)phenyl]-2-oxopiperidin-3-yl]-6-(2-methylpropyl)-1H-indole-2-carboxamide

C25H27F2N3O3 — CID 166328086

IUPACN-[1-[4-(difluoromethoxy)phenyl]-2-oxopiperidin-3-yl]-6-(2-methylpropyl)-1H-indole-2-carboxamide
SMILESCC(C)Cc1ccc2cc(C(=O)NC3CCCN(c4ccc(OC(F)F)cc4)C3=O)[nH]c2c1
InChIInChI=1S/C25H27F2N3O3/c1-15(2)12-16-5-6-17-14-22(28-21(17)13-16)23(31)29-20-4-3-11-30(24(20)32)18-7-9-19(10-8-18)33-25(26)27/h5-10,13-15,20,25,28H,3-4,11-12H2,1-2H3,(H,29,31)
InChIKeyPXUYHSWKGKMPJY-UHFFFAOYSA-N
MW455.51 g/mol
LogP4.89
Rot. Bonds7

About N-[1-[4-(difluoromethoxy)phenyl]-2-oxopiperidin-3-yl]-6-(2-methylpropyl)-1H-indole-2-carboxamide

N-[1-[4-(difluoromethoxy)phenyl]-2-oxopiperidin-3-yl]-6-(2-methylpropyl)-1H-indole-2-carboxamide (PubChem CID 166328086) has the molecular formula C25H27F2N3O3 and a molecular weight of 455.51 g/mol. Its IUPAC name is N-[1-[4-(difluoromethoxy)phenyl]-2-oxopiperidin-3-yl]-6-(2-methylpropyl)-1H-indole-2-carboxamide.

Molecular Properties

Compound NameN-[1-[4-(difluoromethoxy)phenyl]-2-oxopiperidin-3-yl]-6-(2-methylpropyl)-1H-indole-2-carboxamide
PubChem CID166328086
Molecular FormulaC25H27F2N3O3
Molecular Weight455.51 g/mol
Exact Mass455.20
IUPAC NameN-[1-[4-(difluoromethoxy)phenyl]-2-oxopiperidin-3-yl]-6-(2-methylpropyl)-1H-indole-2-carboxamide
SMILESCC(C)Cc1ccc2cc(C(=O)NC3CCCN(c4ccc(OC(F)F)cc4)C3=O)[nH]c2c1
InChIInChI=1S/C25H27F2N3O3/c1-15(2)12-16-5-6-17-14-22(28-21(17)13-16)23(31)29-20-4-3-11-30(24(20)32)18-7-9-19(10-8-18)33-25(26)27/h5-10,13-15,20,25,28H,3-4,11-12H2,1-2H3,(H,29,31)
InChIKeyPXUYHSWKGKMPJY-UHFFFAOYSA-N
XLogP4.89
TPSA74.43 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds7
Heavy Atoms33
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500455.51
LogP ≤ 54.89
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

2-(4-aminophenyl)-N-[1-[4-(difluoromethoxy)phenyl]-2-oxopiperidin-3-yl]acetamide
CID 119806116
(2S)-2-amino-N-[1-[4-(difluoromethoxy)phenyl]-2-oxopiperidin-3-yl]-4-methylpentanamide
CID 119806156
N-[(3R)-1-[4-(difluoromethoxy)phenyl]-2-oxopiperidin-3-yl]-2,2-difluoroacetamide
CID 99842219
3-amino-N-[1-[4-(difluoromethoxy)phenyl]-2-oxopiperidin-3-yl]benzamide
CID 119806136
N-[1-[4-(difluoromethoxy)phenyl]-2-oxopiperidin-3-yl]-2-(2-methoxyethylamino)acetamide;hydrochloride
CID 119806149
2-amino-N-[1-[4-(difluoromethoxy)phenyl]-2-oxopiperidin-3-yl]-3-methoxypropanamide;hydrochloride
CID 120990960
N-[1-[4-(difluoromethoxy)phenyl]-2-oxopiperidin-3-yl]-2-pyrrolidin-2-ylacetamide;hydrochloride
CID 119806147
N-[1-[4-(difluoromethoxy)phenyl]-2-oxopiperidin-3-yl]piperidine-2-carboxamide;hydrochloride
CID 119336385
4-(aminomethyl)-N-[1-[4-(difluoromethoxy)phenyl]-2-oxopiperidin-3-yl]oxane-4-carboxamide
CID 120935390
6-methyl-N-[2-oxo-1-[3-(trifluoromethoxy)phenyl]pyrrolidin-3-yl]-1H-indole-2-carboxamide
CID 102557214
3-[[[1-[4-(difluoromethoxy)phenyl]-2-oxopiperidin-3-yl]amino]methyl]benzoic acid
CID 122031444
(2S,5R)-5-(aminomethyl)-N-[1-[4-(difluoromethoxy)phenyl]-2-oxopiperidin-3-yl]oxolane-2-carboxamide
CID 120795138

Frequently Asked Questions

What is the IUPAC name of N-[1-[4-(difluoromethoxy)phenyl]-2-oxopiperidin-3-yl]-6-(2-methylpropyl)-1H-indole-2-carboxamide?
The IUPAC name of N-[1-[4-(difluoromethoxy)phenyl]-2-oxopiperidin-3-yl]-6-(2-methylpropyl)-1H-indole-2-carboxamide (CID 166328086) is N-[1-[4-(difluoromethoxy)phenyl]-2-oxopiperidin-3-yl]-6-(2-methylpropyl)-1H-indole-2-carboxamide.
What is the SMILES notation for N-[1-[4-(difluoromethoxy)phenyl]-2-oxopiperidin-3-yl]-6-(2-methylpropyl)-1H-indole-2-carboxamide?
The canonical SMILES for N-[1-[4-(difluoromethoxy)phenyl]-2-oxopiperidin-3-yl]-6-(2-methylpropyl)-1H-indole-2-carboxamide is CC(C)Cc1ccc2cc(C(=O)NC3CCCN(c4ccc(OC(F)F)cc4)C3=O)[nH]c2c1.
What is the InChIKey of N-[1-[4-(difluoromethoxy)phenyl]-2-oxopiperidin-3-yl]-6-(2-methylpropyl)-1H-indole-2-carboxamide?
The InChIKey is PXUYHSWKGKMPJY-UHFFFAOYSA-N. The full InChI is InChI=1S/C25H27F2N3O3/c1-15(2)12-16-5-6-17-14-22(28-21(17)13-16)23(31)29-20-4-3-11-30(24(20)32)18-7-9-19(10-8-18)33-25(26)27/h5-10,13-15,20,25,28H,3-4,11-12H2,1-2H3,(H,29,31).
What are the key properties of N-[1-[4-(difluoromethoxy)phenyl]-2-oxopiperidin-3-yl]-6-(2-methylpropyl)-1H-indole-2-carboxamide?
N-[1-[4-(difluoromethoxy)phenyl]-2-oxopiperidin-3-yl]-6-(2-methylpropyl)-1H-indole-2-carboxamide has a molecular weight of 455.51 g/mol, XLogP of 4.89, 7 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[1-[4-(difluoromethoxy)phenyl]-2-oxopiperidin-3-yl]-6-(2-methylpropyl)-1H-indole-2-carboxamide is sourced from PubChem (CID 166328086), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).