(3R)-1-N-(pyridin-2-ylmethyl)-3-N-(1,3,4-thiadiazol-2-yl)piperidine-1,3-dicarboxamide

C15H18N6O2S — CID 95636192

IUPAC(3R)-1-N-(pyridin-2-ylmethyl)-3-N-(1,3,4-thiadiazol-2-yl)piperidine-1,3-dicarboxamide
SMILESO=C(Nc1nncs1)[C@@H]1CCCN(C(=O)NCc2ccccn2)C1
InChIInChI=1S/C15H18N6O2S/c22-13(19-14-20-18-10-24-14)11-4-3-7-21(9-11)15(23)17-8-12-5-1-2-6-16-12/h1-2,5-6,10-11H,3-4,7-9H2,(H,17,23)(H,19,20,22)/t11-/m1/s1
InChIKeyMGXGSODBKKPTJR-LLVKDONJSA-N
MW346.42 g/mol
LogP1.49
Rot. Bonds4

About (3R)-1-N-(pyridin-2-ylmethyl)-3-N-(1,3,4-thiadiazol-2-yl)piperidine-1,3-dicarboxamide

(3R)-1-N-(pyridin-2-ylmethyl)-3-N-(1,3,4-thiadiazol-2-yl)piperidine-1,3-dicarboxamide (PubChem CID 95636192) has the molecular formula C15H18N6O2S and a molecular weight of 346.42 g/mol. Its IUPAC name is (3R)-1-N-(pyridin-2-ylmethyl)-3-N-(1,3,4-thiadiazol-2-yl)piperidine-1,3-dicarboxamide.

Molecular Properties

Compound Name(3R)-1-N-(pyridin-2-ylmethyl)-3-N-(1,3,4-thiadiazol-2-yl)piperidine-1,3-dicarboxamide
PubChem CID95636192
Molecular FormulaC15H18N6O2S
Molecular Weight346.42 g/mol
Exact Mass346.12
IUPAC Name(3R)-1-N-(pyridin-2-ylmethyl)-3-N-(1,3,4-thiadiazol-2-yl)piperidine-1,3-dicarboxamide
SMILESO=C(Nc1nncs1)[C@@H]1CCCN(C(=O)NCc2ccccn2)C1
InChIInChI=1S/C15H18N6O2S/c22-13(19-14-20-18-10-24-14)11-4-3-7-21(9-11)15(23)17-8-12-5-1-2-6-16-12/h1-2,5-6,10-11H,3-4,7-9H2,(H,17,23)(H,19,20,22)/t11-/m1/s1
InChIKeyMGXGSODBKKPTJR-LLVKDONJSA-N
XLogP1.49
TPSA100.11 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds4
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500346.42
LogP ≤ 51.49
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

Analyze (3R)-1-N-(pyridin-2-ylmethyl)-3-N-(1,3,4-thiadiazol-2-yl)piperidine-1,3-dicarboxamide with MolForge

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Related Compounds

(3S)-1-N-(pyridin-2-ylmethyl)-3-N-(1,3-thiazol-2-yl)piperidine-1,3-dicarboxamide
CID 94656232
1-[2-(2-fluorophenyl)acetyl]-N-(1,3,4-thiadiazol-2-yl)piperidine-3-carboxamide
CID 47050306
1-N-(oxolan-2-ylmethyl)-3-N-(1,3,4-thiadiazol-2-yl)piperidine-1,3-dicarboxamide
CID 56807058
methyl 3-(1,3,4-thiadiazol-2-ylcarbamoyl)piperidine-1-carboxylate
CID 60556816
2-[1-(pyridin-2-ylmethylcarbamoyl)piperidin-3-yl]acetic acid
CID 62689961
N-phenyl-5-[(3S)-3-(pyridin-2-ylmethylcarbamoyl)piperidine-1-carbonyl]-1,3,4-thiadiazole-2-carboxamide
CID 92890642
(3R)-1-(4-fluorobenzoyl)-N-(1,3,4-thiadiazol-2-yl)piperidine-3-carboxamide
CID 29370440
1-N-phenyl-3-N-(2-pyridin-2-ylethyl)piperidine-1,3-dicarboxamide
CID 51250780
1-(1H-indazole-3-carbonyl)-N-(1,3,4-thiadiazol-2-yl)piperidine-3-carboxamide
CID 170858636
1-N-cyclohexyl-4-N-(pyridin-2-ylmethyl)piperidine-1,4-dicarboxamide
CID 113004461
1-(2-pyridin-2-ylethylcarbamoyl)piperidine-3-carboxylic acid
CID 43318489
1-(pyridin-2-ylmethylcarbamoyl)piperidine-4-carboxylic acid
CID 43318535

Frequently Asked Questions

What is the IUPAC name of (3R)-1-N-(pyridin-2-ylmethyl)-3-N-(1,3,4-thiadiazol-2-yl)piperidine-1,3-dicarboxamide?
The IUPAC name of (3R)-1-N-(pyridin-2-ylmethyl)-3-N-(1,3,4-thiadiazol-2-yl)piperidine-1,3-dicarboxamide (CID 95636192) is (3R)-1-N-(pyridin-2-ylmethyl)-3-N-(1,3,4-thiadiazol-2-yl)piperidine-1,3-dicarboxamide.
What is the SMILES notation for (3R)-1-N-(pyridin-2-ylmethyl)-3-N-(1,3,4-thiadiazol-2-yl)piperidine-1,3-dicarboxamide?
The canonical SMILES for (3R)-1-N-(pyridin-2-ylmethyl)-3-N-(1,3,4-thiadiazol-2-yl)piperidine-1,3-dicarboxamide is O=C(Nc1nncs1)[C@@H]1CCCN(C(=O)NCc2ccccn2)C1.
What is the InChIKey of (3R)-1-N-(pyridin-2-ylmethyl)-3-N-(1,3,4-thiadiazol-2-yl)piperidine-1,3-dicarboxamide?
The InChIKey is MGXGSODBKKPTJR-LLVKDONJSA-N. The full InChI is InChI=1S/C15H18N6O2S/c22-13(19-14-20-18-10-24-14)11-4-3-7-21(9-11)15(23)17-8-12-5-1-2-6-16-12/h1-2,5-6,10-11H,3-4,7-9H2,(H,17,23)(H,19,20,22)/t11-/m1/s1.
What are the key properties of (3R)-1-N-(pyridin-2-ylmethyl)-3-N-(1,3,4-thiadiazol-2-yl)piperidine-1,3-dicarboxamide?
(3R)-1-N-(pyridin-2-ylmethyl)-3-N-(1,3,4-thiadiazol-2-yl)piperidine-1,3-dicarboxamide has a molecular weight of 346.42 g/mol, XLogP of 1.49, 4 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for (3R)-1-N-(pyridin-2-ylmethyl)-3-N-(1,3,4-thiadiazol-2-yl)piperidine-1,3-dicarboxamide is sourced from PubChem (CID 95636192), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).