(3R)-1-(1-methylbenzimidazol-2-yl)-N-(5-methyl-1,3,4-thiadiazol-2-yl)piperidine-3-carboxamide

C17H20N6OS — CID 95808037

IUPAC(3R)-1-(1-methylbenzimidazol-2-yl)-N-(5-methyl-1,3,4-thiadiazol-2-yl)piperidine-3-carboxamide
SMILESCc1nnc(NC(=O)[C@@H]2CCCN(c3nc4ccccc4n3C)C2)s1
InChIInChI=1S/C17H20N6OS/c1-11-20-21-16(25-11)19-15(24)12-6-5-9-23(10-12)17-18-13-7-3-4-8-14(13)22(17)2/h3-4,7-8,12H,5-6,9-10H2,1-2H3,(H,19,21,24)/t12-/m1/s1
InChIKeyRIKXUGPWFXZLKI-GFCCVEGCSA-N
MW356.46 g/mol
LogP2.59
Rot. Bonds3

About (3R)-1-(1-methylbenzimidazol-2-yl)-N-(5-methyl-1,3,4-thiadiazol-2-yl)piperidine-3-carboxamide

(3R)-1-(1-methylbenzimidazol-2-yl)-N-(5-methyl-1,3,4-thiadiazol-2-yl)piperidine-3-carboxamide (PubChem CID 95808037) has the molecular formula C17H20N6OS and a molecular weight of 356.46 g/mol. Its IUPAC name is (3R)-1-(1-methylbenzimidazol-2-yl)-N-(5-methyl-1,3,4-thiadiazol-2-yl)piperidine-3-carboxamide.

Molecular Properties

Compound Name(3R)-1-(1-methylbenzimidazol-2-yl)-N-(5-methyl-1,3,4-thiadiazol-2-yl)piperidine-3-carboxamide
PubChem CID95808037
Molecular FormulaC17H20N6OS
Molecular Weight356.46 g/mol
Exact Mass356.14
IUPAC Name(3R)-1-(1-methylbenzimidazol-2-yl)-N-(5-methyl-1,3,4-thiadiazol-2-yl)piperidine-3-carboxamide
SMILESCc1nnc(NC(=O)[C@@H]2CCCN(c3nc4ccccc4n3C)C2)s1
InChIInChI=1S/C17H20N6OS/c1-11-20-21-16(25-11)19-15(24)12-6-5-9-23(10-12)17-18-13-7-3-4-8-14(13)22(17)2/h3-4,7-8,12H,5-6,9-10H2,1-2H3,(H,19,21,24)/t12-/m1/s1
InChIKeyRIKXUGPWFXZLKI-GFCCVEGCSA-N
XLogP2.59
TPSA75.94 Ų
H-Bond Donors1
H-Bond Acceptors7
Rotatable Bonds3
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500356.46
LogP ≤ 52.59
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 107

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Related Compounds

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(3R)-1-(1-methylbenzimidazol-2-yl)-N-prop-2-enylpiperidine-3-carboxamide
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[1-(1-methylbenzimidazol-2-yl)piperidin-3-yl]-piperidin-1-ylmethanone
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(3R)-N-[(2-methoxyphenyl)methyl]-1-(1-methylbenzimidazol-2-yl)piperidine-3-carboxamide
CID 51492751
(3S)-N-(2-ethenoxyethyl)-1-(1-methylbenzimidazol-2-yl)piperidine-3-carboxamide
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N-[2-(4-fluorophenyl)ethyl]-1-(1-methylbenzimidazol-2-yl)piperidine-3-carboxamide
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N-(3-imidazol-1-ylpropyl)-1-(1-methylbenzimidazol-2-yl)piperidine-3-carboxamide
CID 46959580
N-(5-methyl-1,3,4-thiadiazol-2-yl)-1-phenylpiperidine-4-carboxamide
CID 17152412
1-(1,3-benzoxazol-2-yl)-N-(5-methyl-1,3,4-thiadiazol-2-yl)piperidine-4-carboxamide
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Frequently Asked Questions

What is the IUPAC name of (3R)-1-(1-methylbenzimidazol-2-yl)-N-(5-methyl-1,3,4-thiadiazol-2-yl)piperidine-3-carboxamide?
The IUPAC name of (3R)-1-(1-methylbenzimidazol-2-yl)-N-(5-methyl-1,3,4-thiadiazol-2-yl)piperidine-3-carboxamide (CID 95808037) is (3R)-1-(1-methylbenzimidazol-2-yl)-N-(5-methyl-1,3,4-thiadiazol-2-yl)piperidine-3-carboxamide.
What is the SMILES notation for (3R)-1-(1-methylbenzimidazol-2-yl)-N-(5-methyl-1,3,4-thiadiazol-2-yl)piperidine-3-carboxamide?
The canonical SMILES for (3R)-1-(1-methylbenzimidazol-2-yl)-N-(5-methyl-1,3,4-thiadiazol-2-yl)piperidine-3-carboxamide is Cc1nnc(NC(=O)[C@@H]2CCCN(c3nc4ccccc4n3C)C2)s1.
What is the InChIKey of (3R)-1-(1-methylbenzimidazol-2-yl)-N-(5-methyl-1,3,4-thiadiazol-2-yl)piperidine-3-carboxamide?
The InChIKey is RIKXUGPWFXZLKI-GFCCVEGCSA-N. The full InChI is InChI=1S/C17H20N6OS/c1-11-20-21-16(25-11)19-15(24)12-6-5-9-23(10-12)17-18-13-7-3-4-8-14(13)22(17)2/h3-4,7-8,12H,5-6,9-10H2,1-2H3,(H,19,21,24)/t12-/m1/s1.
What are the key properties of (3R)-1-(1-methylbenzimidazol-2-yl)-N-(5-methyl-1,3,4-thiadiazol-2-yl)piperidine-3-carboxamide?
(3R)-1-(1-methylbenzimidazol-2-yl)-N-(5-methyl-1,3,4-thiadiazol-2-yl)piperidine-3-carboxamide has a molecular weight of 356.46 g/mol, XLogP of 2.59, 3 rotatable bonds, 1 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for (3R)-1-(1-methylbenzimidazol-2-yl)-N-(5-methyl-1,3,4-thiadiazol-2-yl)piperidine-3-carboxamide is sourced from PubChem (CID 95808037), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).