1-N-[2-(difluoromethoxy)-6-methylphenyl]-4-N-(1,3,4-thiadiazol-2-yl)piperidine-1,4-dicarboxamide

C17H19F2N5O3S — CID 56587113

IUPAC1-N-[2-(difluoromethoxy)-6-methylphenyl]-4-N-(1,3,4-thiadiazol-2-yl)piperidine-1,4-dicarboxamide
SMILESCc1cccc(OC(F)F)c1NC(=O)N1CCC(C(=O)Nc2nncs2)CC1
InChIInChI=1S/C17H19F2N5O3S/c1-10-3-2-4-12(27-15(18)19)13(10)21-17(26)24-7-5-11(6-8-24)14(25)22-16-23-20-9-28-16/h2-4,9,11,15H,5-8H2,1H3,(H,21,26)(H,22,23,25)
InChIKeyRSLRPDRIFFTXJZ-UHFFFAOYSA-N
MW411.43 g/mol
LogP3.33
Rot. Bonds5

About 1-N-[2-(difluoromethoxy)-6-methylphenyl]-4-N-(1,3,4-thiadiazol-2-yl)piperidine-1,4-dicarboxamide

1-N-[2-(difluoromethoxy)-6-methylphenyl]-4-N-(1,3,4-thiadiazol-2-yl)piperidine-1,4-dicarboxamide (PubChem CID 56587113) has the molecular formula C17H19F2N5O3S and a molecular weight of 411.43 g/mol. Its IUPAC name is 1-N-[2-(difluoromethoxy)-6-methylphenyl]-4-N-(1,3,4-thiadiazol-2-yl)piperidine-1,4-dicarboxamide.

Molecular Properties

Compound Name1-N-[2-(difluoromethoxy)-6-methylphenyl]-4-N-(1,3,4-thiadiazol-2-yl)piperidine-1,4-dicarboxamide
PubChem CID56587113
Molecular FormulaC17H19F2N5O3S
Molecular Weight411.43 g/mol
Exact Mass411.12
IUPAC Name1-N-[2-(difluoromethoxy)-6-methylphenyl]-4-N-(1,3,4-thiadiazol-2-yl)piperidine-1,4-dicarboxamide
SMILESCc1cccc(OC(F)F)c1NC(=O)N1CCC(C(=O)Nc2nncs2)CC1
InChIInChI=1S/C17H19F2N5O3S/c1-10-3-2-4-12(27-15(18)19)13(10)21-17(26)24-7-5-11(6-8-24)14(25)22-16-23-20-9-28-16/h2-4,9,11,15H,5-8H2,1H3,(H,21,26)(H,22,23,25)
InChIKeyRSLRPDRIFFTXJZ-UHFFFAOYSA-N
XLogP3.33
TPSA96.45 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds5
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500411.43
LogP ≤ 53.33
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

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Related Compounds

N-[2-(difluoromethoxy)-6-methylphenyl]-3-hydroxypiperidine-1-carboxamide
CID 111111727
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CID 102559200
3-amino-N-[2-(difluoromethoxy)-6-methylphenyl]cyclopentane-1-carboxamide
CID 119764632
1-[[2-(difluoromethoxy)-6-methylphenyl]carbamoyl]-3-methylpyrrolidine-3-carboxylic acid
CID 122079282
1-N-[cyclopentyl(thiophen-2-yl)methyl]-4-N-(1,3,4-thiadiazol-2-yl)piperidine-1,4-dicarboxamide
CID 55930277
1-(3,3-difluorobutanoyl)-N-(1,3,4-thiadiazol-2-yl)piperidine-4-carboxamide
CID 154739258
1-N-(2-morpholin-4-yl-2-thiophen-2-ylethyl)-4-N-(1,3,4-thiadiazol-2-yl)piperidine-1,4-dicarboxamide
CID 55919738
1-N-[2-(4-tert-butylphenyl)ethyl]-4-N-(1,3,4-thiadiazol-2-yl)piperidine-1,4-dicarboxamide
CID 51122160
1-ethylsulfonyl-N-(1,3,4-thiadiazol-2-yl)piperidine-4-carboxamide
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4-(2,6-dimethylmorpholine-4-carbonyl)-N-(1,3,4-thiadiazol-2-yl)piperidine-1-carboxamide
CID 51118494
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Frequently Asked Questions

What is the IUPAC name of 1-N-[2-(difluoromethoxy)-6-methylphenyl]-4-N-(1,3,4-thiadiazol-2-yl)piperidine-1,4-dicarboxamide?
The IUPAC name of 1-N-[2-(difluoromethoxy)-6-methylphenyl]-4-N-(1,3,4-thiadiazol-2-yl)piperidine-1,4-dicarboxamide (CID 56587113) is 1-N-[2-(difluoromethoxy)-6-methylphenyl]-4-N-(1,3,4-thiadiazol-2-yl)piperidine-1,4-dicarboxamide.
What is the SMILES notation for 1-N-[2-(difluoromethoxy)-6-methylphenyl]-4-N-(1,3,4-thiadiazol-2-yl)piperidine-1,4-dicarboxamide?
The canonical SMILES for 1-N-[2-(difluoromethoxy)-6-methylphenyl]-4-N-(1,3,4-thiadiazol-2-yl)piperidine-1,4-dicarboxamide is Cc1cccc(OC(F)F)c1NC(=O)N1CCC(C(=O)Nc2nncs2)CC1.
What is the InChIKey of 1-N-[2-(difluoromethoxy)-6-methylphenyl]-4-N-(1,3,4-thiadiazol-2-yl)piperidine-1,4-dicarboxamide?
The InChIKey is RSLRPDRIFFTXJZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H19F2N5O3S/c1-10-3-2-4-12(27-15(18)19)13(10)21-17(26)24-7-5-11(6-8-24)14(25)22-16-23-20-9-28-16/h2-4,9,11,15H,5-8H2,1H3,(H,21,26)(H,22,23,25).
What are the key properties of 1-N-[2-(difluoromethoxy)-6-methylphenyl]-4-N-(1,3,4-thiadiazol-2-yl)piperidine-1,4-dicarboxamide?
1-N-[2-(difluoromethoxy)-6-methylphenyl]-4-N-(1,3,4-thiadiazol-2-yl)piperidine-1,4-dicarboxamide has a molecular weight of 411.43 g/mol, XLogP of 3.33, 5 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 1-N-[2-(difluoromethoxy)-6-methylphenyl]-4-N-(1,3,4-thiadiazol-2-yl)piperidine-1,4-dicarboxamide is sourced from PubChem (CID 56587113), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).