1-(4-chlorobenzoyl)-N-[5-(2-methylpropyl)-1,3,4-thiadiazol-2-yl]piperidine-4-carboxamide

C19H23ClN4O2S — CID 16548022

IUPAC1-(4-chlorobenzoyl)-N-[5-(2-methylpropyl)-1,3,4-thiadiazol-2-yl]piperidine-4-carboxamide
SMILESCC(C)Cc1nnc(NC(=O)C2CCN(C(=O)c3ccc(Cl)cc3)CC2)s1
InChIInChI=1S/C19H23ClN4O2S/c1-12(2)11-16-22-23-19(27-16)21-17(25)13-7-9-24(10-8-13)18(26)14-3-5-15(20)6-4-14/h3-6,12-13H,7-11H2,1-2H3,(H,21,23,25)
InChIKeyFDKLVNHJVOXUEX-UHFFFAOYSA-N
MW406.94 g/mol
LogP3.88
Rot. Bonds5

About 1-(4-chlorobenzoyl)-N-[5-(2-methylpropyl)-1,3,4-thiadiazol-2-yl]piperidine-4-carboxamide

1-(4-chlorobenzoyl)-N-[5-(2-methylpropyl)-1,3,4-thiadiazol-2-yl]piperidine-4-carboxamide (PubChem CID 16548022) has the molecular formula C19H23ClN4O2S and a molecular weight of 406.94 g/mol. Its IUPAC name is 1-(4-chlorobenzoyl)-N-[5-(2-methylpropyl)-1,3,4-thiadiazol-2-yl]piperidine-4-carboxamide.

Molecular Properties

Compound Name1-(4-chlorobenzoyl)-N-[5-(2-methylpropyl)-1,3,4-thiadiazol-2-yl]piperidine-4-carboxamide
PubChem CID16548022
Molecular FormulaC19H23ClN4O2S
Molecular Weight406.94 g/mol
Exact Mass406.12
IUPAC Name1-(4-chlorobenzoyl)-N-[5-(2-methylpropyl)-1,3,4-thiadiazol-2-yl]piperidine-4-carboxamide
SMILESCC(C)Cc1nnc(NC(=O)C2CCN(C(=O)c3ccc(Cl)cc3)CC2)s1
InChIInChI=1S/C19H23ClN4O2S/c1-12(2)11-16-22-23-19(27-16)21-17(25)13-7-9-24(10-8-13)18(26)14-3-5-15(20)6-4-14/h3-6,12-13H,7-11H2,1-2H3,(H,21,23,25)
InChIKeyFDKLVNHJVOXUEX-UHFFFAOYSA-N
XLogP3.88
TPSA75.19 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500406.94
LogP ≤ 53.88
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 1-(4-chlorobenzoyl)-N-[5-(2-methylpropyl)-1,3,4-thiadiazol-2-yl]piperidine-4-carboxamide?
The IUPAC name of 1-(4-chlorobenzoyl)-N-[5-(2-methylpropyl)-1,3,4-thiadiazol-2-yl]piperidine-4-carboxamide (CID 16548022) is 1-(4-chlorobenzoyl)-N-[5-(2-methylpropyl)-1,3,4-thiadiazol-2-yl]piperidine-4-carboxamide.
What is the SMILES notation for 1-(4-chlorobenzoyl)-N-[5-(2-methylpropyl)-1,3,4-thiadiazol-2-yl]piperidine-4-carboxamide?
The canonical SMILES for 1-(4-chlorobenzoyl)-N-[5-(2-methylpropyl)-1,3,4-thiadiazol-2-yl]piperidine-4-carboxamide is CC(C)Cc1nnc(NC(=O)C2CCN(C(=O)c3ccc(Cl)cc3)CC2)s1.
What is the InChIKey of 1-(4-chlorobenzoyl)-N-[5-(2-methylpropyl)-1,3,4-thiadiazol-2-yl]piperidine-4-carboxamide?
The InChIKey is FDKLVNHJVOXUEX-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H23ClN4O2S/c1-12(2)11-16-22-23-19(27-16)21-17(25)13-7-9-24(10-8-13)18(26)14-3-5-15(20)6-4-14/h3-6,12-13H,7-11H2,1-2H3,(H,21,23,25).
What are the key properties of 1-(4-chlorobenzoyl)-N-[5-(2-methylpropyl)-1,3,4-thiadiazol-2-yl]piperidine-4-carboxamide?
1-(4-chlorobenzoyl)-N-[5-(2-methylpropyl)-1,3,4-thiadiazol-2-yl]piperidine-4-carboxamide has a molecular weight of 406.94 g/mol, XLogP of 3.88, 5 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(4-chlorobenzoyl)-N-[5-(2-methylpropyl)-1,3,4-thiadiazol-2-yl]piperidine-4-carboxamide is sourced from PubChem (CID 16548022), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).