1-(2-methylpropanoyl)-N-[3-(5-methyl-1,3,4-thiadiazol-2-yl)phenyl]piperidine-2-carboxamide

C19H24N4O2S — CID 45208616

IUPAC1-(2-methylpropanoyl)-N-[3-(5-methyl-1,3,4-thiadiazol-2-yl)phenyl]piperidine-2-carboxamide
SMILESCc1nnc(-c2cccc(NC(=O)C3CCCCN3C(=O)C(C)C)c2)s1
InChIInChI=1S/C19H24N4O2S/c1-12(2)19(25)23-10-5-4-9-16(23)17(24)20-15-8-6-7-14(11-15)18-22-21-13(3)26-18/h6-8,11-12,16H,4-5,9-10H2,1-3H3,(H,20,24)
InChIKeyAUQBBSORMADMRM-UHFFFAOYSA-N
MW372.49 g/mol
LogP3.49
Rot. Bonds4

About 1-(2-methylpropanoyl)-N-[3-(5-methyl-1,3,4-thiadiazol-2-yl)phenyl]piperidine-2-carboxamide

1-(2-methylpropanoyl)-N-[3-(5-methyl-1,3,4-thiadiazol-2-yl)phenyl]piperidine-2-carboxamide (PubChem CID 45208616) has the molecular formula C19H24N4O2S and a molecular weight of 372.49 g/mol. Its IUPAC name is 1-(2-methylpropanoyl)-N-[3-(5-methyl-1,3,4-thiadiazol-2-yl)phenyl]piperidine-2-carboxamide.

Molecular Properties

Compound Name1-(2-methylpropanoyl)-N-[3-(5-methyl-1,3,4-thiadiazol-2-yl)phenyl]piperidine-2-carboxamide
PubChem CID45208616
Molecular FormulaC19H24N4O2S
Molecular Weight372.49 g/mol
Exact Mass372.16
IUPAC Name1-(2-methylpropanoyl)-N-[3-(5-methyl-1,3,4-thiadiazol-2-yl)phenyl]piperidine-2-carboxamide
SMILESCc1nnc(-c2cccc(NC(=O)C3CCCCN3C(=O)C(C)C)c2)s1
InChIInChI=1S/C19H24N4O2S/c1-12(2)19(25)23-10-5-4-9-16(23)17(24)20-15-8-6-7-14(11-15)18-22-21-13(3)26-18/h6-8,11-12,16H,4-5,9-10H2,1-3H3,(H,20,24)
InChIKeyAUQBBSORMADMRM-UHFFFAOYSA-N
XLogP3.49
TPSA75.19 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500372.49
LogP ≤ 53.49
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

(2R)-1-(6-methylpyridine-3-carbonyl)-N-[3-(5-methyl-1,3,4-thiadiazol-2-yl)phenyl]piperidine-2-carboxamide
CID 25280887
(2R)-N-[3-(5-methyl-1,3,4-thiadiazol-2-yl)phenyl]-1-(3-methylthiophene-2-carbonyl)piperidine-2-carboxamide
CID 25451049
1-(2,5-dimethylfuran-3-carbonyl)-N-[3-(5-methyl-1,3,4-thiadiazol-2-yl)phenyl]piperidine-2-carboxamide
CID 45252531
1-[2-(cyclohexen-1-yl)acetyl]-N-[3-(5-methyl-1,3,4-thiadiazol-2-yl)phenyl]piperidine-2-carboxamide
CID 45201574
(2S)-N-[3-(5-methyl-1,3,4-thiadiazol-2-yl)phenyl]-1-(3-thiophen-2-ylpropanoyl)piperidine-2-carboxamide
CID 42458008
(2R)-N-[3-(5-methyl-1,3,4-thiadiazol-2-yl)phenyl]-1-(1,3-thiazol-5-ylmethyl)piperidine-2-carboxamide
CID 97275260
(2S)-N-[3-(5-methyl-1,3,4-thiadiazol-2-yl)phenyl]-2-pyridin-2-ylpiperidine-1-carboxamide
CID 97435089
1-(2-methylpropanoyl)-N-(3-piperidin-1-ylsulfonylphenyl)pyrrolidine-2-carboxamide
CID 55883513
1-(furan-2-carbonyl)-N-[3-(5-methyl-1,3,4-thiadiazol-2-yl)phenyl]piperidine-4-carboxamide
CID 25459482
1-[(5-ethylfuran-2-yl)methyl]-N-[3-(5-methyl-1,3,4-thiadiazol-2-yl)phenyl]piperidine-4-carboxamide
CID 24817026
N-[4-(6-methyl-1,3-benzothiazol-2-yl)phenyl]-1-(2-methylpropanoyl)pyrrolidine-2-carboxamide
CID 60527240
(2R)-N-[4-(azepan-1-yl)phenyl]-1-(2-methylpropanoyl)piperidine-2-carboxamide
CID 94621419

Frequently Asked Questions

What is the IUPAC name of 1-(2-methylpropanoyl)-N-[3-(5-methyl-1,3,4-thiadiazol-2-yl)phenyl]piperidine-2-carboxamide?
The IUPAC name of 1-(2-methylpropanoyl)-N-[3-(5-methyl-1,3,4-thiadiazol-2-yl)phenyl]piperidine-2-carboxamide (CID 45208616) is 1-(2-methylpropanoyl)-N-[3-(5-methyl-1,3,4-thiadiazol-2-yl)phenyl]piperidine-2-carboxamide.
What is the SMILES notation for 1-(2-methylpropanoyl)-N-[3-(5-methyl-1,3,4-thiadiazol-2-yl)phenyl]piperidine-2-carboxamide?
The canonical SMILES for 1-(2-methylpropanoyl)-N-[3-(5-methyl-1,3,4-thiadiazol-2-yl)phenyl]piperidine-2-carboxamide is Cc1nnc(-c2cccc(NC(=O)C3CCCCN3C(=O)C(C)C)c2)s1.
What is the InChIKey of 1-(2-methylpropanoyl)-N-[3-(5-methyl-1,3,4-thiadiazol-2-yl)phenyl]piperidine-2-carboxamide?
The InChIKey is AUQBBSORMADMRM-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H24N4O2S/c1-12(2)19(25)23-10-5-4-9-16(23)17(24)20-15-8-6-7-14(11-15)18-22-21-13(3)26-18/h6-8,11-12,16H,4-5,9-10H2,1-3H3,(H,20,24).
What are the key properties of 1-(2-methylpropanoyl)-N-[3-(5-methyl-1,3,4-thiadiazol-2-yl)phenyl]piperidine-2-carboxamide?
1-(2-methylpropanoyl)-N-[3-(5-methyl-1,3,4-thiadiazol-2-yl)phenyl]piperidine-2-carboxamide has a molecular weight of 372.49 g/mol, XLogP of 3.49, 4 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(2-methylpropanoyl)-N-[3-(5-methyl-1,3,4-thiadiazol-2-yl)phenyl]piperidine-2-carboxamide is sourced from PubChem (CID 45208616), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).