N-(5-ethyl-1,3,4-thiadiazol-2-yl)-2-(4-methoxyphenyl)-1-(4-methylphenyl)-6-oxopiperidine-3-carboxamide

C24H26N4O3S — CID 112791279

IUPACN-(5-ethyl-1,3,4-thiadiazol-2-yl)-2-(4-methoxyphenyl)-1-(4-methylphenyl)-6-oxopiperidine-3-carboxamide
SMILESCCc1nnc(NC(=O)C2CCC(=O)N(c3ccc(C)cc3)C2c2ccc(OC)cc2)s1
InChIInChI=1S/C24H26N4O3S/c1-4-20-26-27-24(32-20)25-23(30)19-13-14-21(29)28(17-9-5-15(2)6-10-17)22(19)16-7-11-18(31-3)12-8-16/h5-12,19,22H,4,13-14H2,1-3H3,(H,25,27,30)
InChIKeyQIHCTQHHLVTOOW-UHFFFAOYSA-N
MW450.56 g/mol
LogP4.54
Rot. Bonds6

About N-(5-ethyl-1,3,4-thiadiazol-2-yl)-2-(4-methoxyphenyl)-1-(4-methylphenyl)-6-oxopiperidine-3-carboxamide

N-(5-ethyl-1,3,4-thiadiazol-2-yl)-2-(4-methoxyphenyl)-1-(4-methylphenyl)-6-oxopiperidine-3-carboxamide (PubChem CID 112791279) has the molecular formula C24H26N4O3S and a molecular weight of 450.56 g/mol. Its IUPAC name is N-(5-ethyl-1,3,4-thiadiazol-2-yl)-2-(4-methoxyphenyl)-1-(4-methylphenyl)-6-oxopiperidine-3-carboxamide.

Molecular Properties

Compound NameN-(5-ethyl-1,3,4-thiadiazol-2-yl)-2-(4-methoxyphenyl)-1-(4-methylphenyl)-6-oxopiperidine-3-carboxamide
PubChem CID112791279
Molecular FormulaC24H26N4O3S
Molecular Weight450.56 g/mol
Exact Mass450.17
IUPAC NameN-(5-ethyl-1,3,4-thiadiazol-2-yl)-2-(4-methoxyphenyl)-1-(4-methylphenyl)-6-oxopiperidine-3-carboxamide
SMILESCCc1nnc(NC(=O)C2CCC(=O)N(c3ccc(C)cc3)C2c2ccc(OC)cc2)s1
InChIInChI=1S/C24H26N4O3S/c1-4-20-26-27-24(32-20)25-23(30)19-13-14-21(29)28(17-9-5-15(2)6-10-17)22(19)16-7-11-18(31-3)12-8-16/h5-12,19,22H,4,13-14H2,1-3H3,(H,25,27,30)
InChIKeyQIHCTQHHLVTOOW-UHFFFAOYSA-N
XLogP4.54
TPSA84.42 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds6
Heavy Atoms32
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500450.56
LogP ≤ 54.54
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of N-(5-ethyl-1,3,4-thiadiazol-2-yl)-2-(4-methoxyphenyl)-1-(4-methylphenyl)-6-oxopiperidine-3-carboxamide?
The IUPAC name of N-(5-ethyl-1,3,4-thiadiazol-2-yl)-2-(4-methoxyphenyl)-1-(4-methylphenyl)-6-oxopiperidine-3-carboxamide (CID 112791279) is N-(5-ethyl-1,3,4-thiadiazol-2-yl)-2-(4-methoxyphenyl)-1-(4-methylphenyl)-6-oxopiperidine-3-carboxamide.
What is the SMILES notation for N-(5-ethyl-1,3,4-thiadiazol-2-yl)-2-(4-methoxyphenyl)-1-(4-methylphenyl)-6-oxopiperidine-3-carboxamide?
The canonical SMILES for N-(5-ethyl-1,3,4-thiadiazol-2-yl)-2-(4-methoxyphenyl)-1-(4-methylphenyl)-6-oxopiperidine-3-carboxamide is CCc1nnc(NC(=O)C2CCC(=O)N(c3ccc(C)cc3)C2c2ccc(OC)cc2)s1.
What is the InChIKey of N-(5-ethyl-1,3,4-thiadiazol-2-yl)-2-(4-methoxyphenyl)-1-(4-methylphenyl)-6-oxopiperidine-3-carboxamide?
The InChIKey is QIHCTQHHLVTOOW-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H26N4O3S/c1-4-20-26-27-24(32-20)25-23(30)19-13-14-21(29)28(17-9-5-15(2)6-10-17)22(19)16-7-11-18(31-3)12-8-16/h5-12,19,22H,4,13-14H2,1-3H3,(H,25,27,30).
What are the key properties of N-(5-ethyl-1,3,4-thiadiazol-2-yl)-2-(4-methoxyphenyl)-1-(4-methylphenyl)-6-oxopiperidine-3-carboxamide?
N-(5-ethyl-1,3,4-thiadiazol-2-yl)-2-(4-methoxyphenyl)-1-(4-methylphenyl)-6-oxopiperidine-3-carboxamide has a molecular weight of 450.56 g/mol, XLogP of 4.54, 6 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N-(5-ethyl-1,3,4-thiadiazol-2-yl)-2-(4-methoxyphenyl)-1-(4-methylphenyl)-6-oxopiperidine-3-carboxamide is sourced from PubChem (CID 112791279), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).