(3R)-N-ethyl-3-[5-(4-methoxyphenyl)-1,3,4-thiadiazol-2-yl]piperidine-1-carboxamide

C17H22N4O2S — CID 51867910

IUPAC(3R)-N-ethyl-3-[5-(4-methoxyphenyl)-1,3,4-thiadiazol-2-yl]piperidine-1-carboxamide
SMILESCCNC(=O)N1CCC[C@@H](c2nnc(-c3ccc(OC)cc3)s2)C1
InChIInChI=1S/C17H22N4O2S/c1-3-18-17(22)21-10-4-5-13(11-21)16-20-19-15(24-16)12-6-8-14(23-2)9-7-12/h6-9,13H,3-5,10-11H2,1-2H3,(H,18,22)/t13-/m1/s1
InChIKeyRMKILHGSWMGIEH-CYBMUJFWSA-N
MW346.46 g/mol
LogP3.12
Rot. Bonds4

About (3R)-N-ethyl-3-[5-(4-methoxyphenyl)-1,3,4-thiadiazol-2-yl]piperidine-1-carboxamide

(3R)-N-ethyl-3-[5-(4-methoxyphenyl)-1,3,4-thiadiazol-2-yl]piperidine-1-carboxamide (PubChem CID 51867910) has the molecular formula C17H22N4O2S and a molecular weight of 346.46 g/mol. Its IUPAC name is (3R)-N-ethyl-3-[5-(4-methoxyphenyl)-1,3,4-thiadiazol-2-yl]piperidine-1-carboxamide.

Molecular Properties

Compound Name(3R)-N-ethyl-3-[5-(4-methoxyphenyl)-1,3,4-thiadiazol-2-yl]piperidine-1-carboxamide
PubChem CID51867910
Molecular FormulaC17H22N4O2S
Molecular Weight346.46 g/mol
Exact Mass346.15
IUPAC Name(3R)-N-ethyl-3-[5-(4-methoxyphenyl)-1,3,4-thiadiazol-2-yl]piperidine-1-carboxamide
SMILESCCNC(=O)N1CCC[C@@H](c2nnc(-c3ccc(OC)cc3)s2)C1
InChIInChI=1S/C17H22N4O2S/c1-3-18-17(22)21-10-4-5-13(11-21)16-20-19-15(24-16)12-6-8-14(23-2)9-7-12/h6-9,13H,3-5,10-11H2,1-2H3,(H,18,22)/t13-/m1/s1
InChIKeyRMKILHGSWMGIEH-CYBMUJFWSA-N
XLogP3.12
TPSA67.35 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500346.46
LogP ≤ 53.12
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

1-[(3R)-3-[5-(4-methoxyphenyl)-1,3,4-thiadiazol-2-yl]piperidin-1-yl]ethanone
CID 51867849
5-[1-(ethylcarbamoyl)piperidin-3-yl]-N-(4-methoxyphenyl)-1,3,4-thiadiazole-2-carboxamide
CID 46375849
2-[(3R)-1-butylsulfonylpiperidin-3-yl]-5-(4-methoxyphenyl)-1,3,4-thiadiazole
CID 51867889
N-(4-fluorophenyl)-5-[(3R)-1-[(4-methoxyphenyl)carbamoyl]piperidin-3-yl]-1,3,4-thiadiazole-2-carboxamide
CID 92879254
3-[5-(4-fluorophenyl)-1,3,4-oxadiazol-2-yl]-N-[(4-methoxyphenyl)methyl]piperidine-1-carboxamide
CID 121069773
N-(4-chlorophenyl)-5-[1-(ethylcarbamoyl)piperidin-3-yl]-1,3,4-thiadiazole-2-carboxamide
CID 46375863
3-[5-(2-fluorophenyl)-1,3,4-thiadiazol-2-yl]-N-(2-methoxyethyl)piperidine-1-carboxamide
CID 90491210
N-(4-methoxyphenyl)-5-[(3R)-1-[[(2S)-oxolan-2-yl]methylcarbamoyl]piperidin-3-yl]-1,3,4-thiadiazole-2-carboxamide
CID 92879388
5-[1-[(2-ethylphenyl)carbamoyl]piperidin-3-yl]-N-(4-methoxyphenyl)-1,3,4-thiadiazole-2-carboxamide
CID 46375827
5-[(3R)-1-(4-methoxybenzoyl)piperidin-3-yl]-N-(4-methylphenyl)-1,3,4-thiadiazole-2-carboxamide
CID 94088505
5-[(3S)-1-(4-methoxybenzoyl)piperidin-3-yl]-N-(4-methylphenyl)-1,3,4-thiadiazole-2-carboxamide
CID 94088506
N-(4-methoxyphenyl)-5-[(3S)-1-[(3-methoxyphenyl)carbamoyl]piperidin-3-yl]-1,3,4-thiadiazole-2-carboxamide
CID 92879327

Frequently Asked Questions

What is the IUPAC name of (3R)-N-ethyl-3-[5-(4-methoxyphenyl)-1,3,4-thiadiazol-2-yl]piperidine-1-carboxamide?
The IUPAC name of (3R)-N-ethyl-3-[5-(4-methoxyphenyl)-1,3,4-thiadiazol-2-yl]piperidine-1-carboxamide (CID 51867910) is (3R)-N-ethyl-3-[5-(4-methoxyphenyl)-1,3,4-thiadiazol-2-yl]piperidine-1-carboxamide.
What is the SMILES notation for (3R)-N-ethyl-3-[5-(4-methoxyphenyl)-1,3,4-thiadiazol-2-yl]piperidine-1-carboxamide?
The canonical SMILES for (3R)-N-ethyl-3-[5-(4-methoxyphenyl)-1,3,4-thiadiazol-2-yl]piperidine-1-carboxamide is CCNC(=O)N1CCC[C@@H](c2nnc(-c3ccc(OC)cc3)s2)C1.
What is the InChIKey of (3R)-N-ethyl-3-[5-(4-methoxyphenyl)-1,3,4-thiadiazol-2-yl]piperidine-1-carboxamide?
The InChIKey is RMKILHGSWMGIEH-CYBMUJFWSA-N. The full InChI is InChI=1S/C17H22N4O2S/c1-3-18-17(22)21-10-4-5-13(11-21)16-20-19-15(24-16)12-6-8-14(23-2)9-7-12/h6-9,13H,3-5,10-11H2,1-2H3,(H,18,22)/t13-/m1/s1.
What are the key properties of (3R)-N-ethyl-3-[5-(4-methoxyphenyl)-1,3,4-thiadiazol-2-yl]piperidine-1-carboxamide?
(3R)-N-ethyl-3-[5-(4-methoxyphenyl)-1,3,4-thiadiazol-2-yl]piperidine-1-carboxamide has a molecular weight of 346.46 g/mol, XLogP of 3.12, 4 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for (3R)-N-ethyl-3-[5-(4-methoxyphenyl)-1,3,4-thiadiazol-2-yl]piperidine-1-carboxamide is sourced from PubChem (CID 51867910), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).