5-[4-[(3-chlorophenyl)carbamoyl]piperidine-1-carbonyl]-N-(4-methoxyphenyl)-1,3,4-thiadiazole-2-carboxamide

C23H22ClN5O4S — CID 46330648

IUPAC5-[4-[(3-chlorophenyl)carbamoyl]piperidine-1-carbonyl]-N-(4-methoxyphenyl)-1,3,4-thiadiazole-2-carboxamide
SMILESCOc1ccc(NC(=O)c2nnc(C(=O)N3CCC(C(=O)Nc4cccc(Cl)c4)CC3)s2)cc1
InChIInChI=1S/C23H22ClN5O4S/c1-33-18-7-5-16(6-8-18)25-20(31)21-27-28-22(34-21)23(32)29-11-9-14(10-12-29)19(30)26-17-4-2-3-15(24)13-17/h2-8,13-14H,9-12H2,1H3,(H,25,31)(H,26,30)
InChIKeyNRLCDQGZCDHBDW-UHFFFAOYSA-N
MW499.98 g/mol
LogP3.94
Rot. Bonds6

About 5-[4-[(3-chlorophenyl)carbamoyl]piperidine-1-carbonyl]-N-(4-methoxyphenyl)-1,3,4-thiadiazole-2-carboxamide

5-[4-[(3-chlorophenyl)carbamoyl]piperidine-1-carbonyl]-N-(4-methoxyphenyl)-1,3,4-thiadiazole-2-carboxamide (PubChem CID 46330648) has the molecular formula C23H22ClN5O4S and a molecular weight of 499.98 g/mol. Its IUPAC name is 5-[4-[(3-chlorophenyl)carbamoyl]piperidine-1-carbonyl]-N-(4-methoxyphenyl)-1,3,4-thiadiazole-2-carboxamide.

Molecular Properties

Compound Name5-[4-[(3-chlorophenyl)carbamoyl]piperidine-1-carbonyl]-N-(4-methoxyphenyl)-1,3,4-thiadiazole-2-carboxamide
PubChem CID46330648
Molecular FormulaC23H22ClN5O4S
Molecular Weight499.98 g/mol
Exact Mass499.11
IUPAC Name5-[4-[(3-chlorophenyl)carbamoyl]piperidine-1-carbonyl]-N-(4-methoxyphenyl)-1,3,4-thiadiazole-2-carboxamide
SMILESCOc1ccc(NC(=O)c2nnc(C(=O)N3CCC(C(=O)Nc4cccc(Cl)c4)CC3)s2)cc1
InChIInChI=1S/C23H22ClN5O4S/c1-33-18-7-5-16(6-8-18)25-20(31)21-27-28-22(34-21)23(32)29-11-9-14(10-12-29)19(30)26-17-4-2-3-15(24)13-17/h2-8,13-14H,9-12H2,1H3,(H,25,31)(H,26,30)
InChIKeyNRLCDQGZCDHBDW-UHFFFAOYSA-N
XLogP3.94
TPSA113.52 Ų
H-Bond Donors2
H-Bond Acceptors7
Rotatable Bonds6
Heavy Atoms34
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500499.98
LogP ≤ 53.94
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 107

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Related Compounds

N-(1,3-benzodioxol-5-yl)-5-[4-[(3-chlorophenyl)carbamoyl]piperidine-1-carbonyl]-1,3,4-thiadiazole-2-carboxamide
CID 46330684
N-(3-chlorophenyl)-1-(3,5-dimethoxybenzoyl)piperidine-4-carboxamide
CID 1072800
N-(3-chlorophenyl)-5-[3-[(3,4-dimethylphenyl)carbamoyl]piperidine-1-carbonyl]-1,3,4-thiadiazole-2-carboxamide
CID 50788329
5-[4-[(2-fluorophenyl)methylcarbamoyl]piperidine-1-carbonyl]-N-(4-methoxyphenyl)-1,3,4-thiadiazole-2-carboxamide
CID 46330679
N-(3-chlorophenyl)-5-[4-(2-oxo-2-pyrrolidin-1-ylethyl)piperidine-1-carbonyl]-1,3,4-thiadiazole-2-carboxamide
CID 46330862
N-(3-chlorophenyl)-5-[4-(oxolan-2-ylmethylcarbamoyl)piperidine-1-carbonyl]-1,3,4-thiadiazole-2-carboxamide
CID 46330625
1-(3-chlorophenyl)-N-(4-methoxyphenyl)piperidine-4-carboxamide
CID 17152909
methyl 4-[(3-chlorophenyl)carbamoyl]piperidine-1-carboxylate
CID 110754183
N-(4-methoxyphenyl)-5-[4-(oxolan-2-ylmethylcarbamoyl)piperidine-1-carbonyl]-1,3,4-thiadiazole-2-carboxamide
CID 46330665
5-[4-[2-(azepan-1-yl)-2-oxoethyl]piperidine-1-carbonyl]-N-(4-methoxyphenyl)-1,3,4-thiadiazole-2-carboxamide
CID 46330995
N-(3-chlorophenyl)-1-[(6R)-6-(4-methoxyphenyl)-6,8-dihydro-5H-imidazo[5,1-c][1,4]oxazine-1-carbonyl]piperidine-4-carboxamide
CID 99744498
1-N-(4-methoxyphenyl)-4-N-(3-methylphenyl)cyclohexane-1,4-dicarboxamide
CID 109150432

Frequently Asked Questions

What is the IUPAC name of 5-[4-[(3-chlorophenyl)carbamoyl]piperidine-1-carbonyl]-N-(4-methoxyphenyl)-1,3,4-thiadiazole-2-carboxamide?
The IUPAC name of 5-[4-[(3-chlorophenyl)carbamoyl]piperidine-1-carbonyl]-N-(4-methoxyphenyl)-1,3,4-thiadiazole-2-carboxamide (CID 46330648) is 5-[4-[(3-chlorophenyl)carbamoyl]piperidine-1-carbonyl]-N-(4-methoxyphenyl)-1,3,4-thiadiazole-2-carboxamide.
What is the SMILES notation for 5-[4-[(3-chlorophenyl)carbamoyl]piperidine-1-carbonyl]-N-(4-methoxyphenyl)-1,3,4-thiadiazole-2-carboxamide?
The canonical SMILES for 5-[4-[(3-chlorophenyl)carbamoyl]piperidine-1-carbonyl]-N-(4-methoxyphenyl)-1,3,4-thiadiazole-2-carboxamide is COc1ccc(NC(=O)c2nnc(C(=O)N3CCC(C(=O)Nc4cccc(Cl)c4)CC3)s2)cc1.
What is the InChIKey of 5-[4-[(3-chlorophenyl)carbamoyl]piperidine-1-carbonyl]-N-(4-methoxyphenyl)-1,3,4-thiadiazole-2-carboxamide?
The InChIKey is NRLCDQGZCDHBDW-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H22ClN5O4S/c1-33-18-7-5-16(6-8-18)25-20(31)21-27-28-22(34-21)23(32)29-11-9-14(10-12-29)19(30)26-17-4-2-3-15(24)13-17/h2-8,13-14H,9-12H2,1H3,(H,25,31)(H,26,30).
What are the key properties of 5-[4-[(3-chlorophenyl)carbamoyl]piperidine-1-carbonyl]-N-(4-methoxyphenyl)-1,3,4-thiadiazole-2-carboxamide?
5-[4-[(3-chlorophenyl)carbamoyl]piperidine-1-carbonyl]-N-(4-methoxyphenyl)-1,3,4-thiadiazole-2-carboxamide has a molecular weight of 499.98 g/mol, XLogP of 3.94, 6 rotatable bonds, 2 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 5-[4-[(3-chlorophenyl)carbamoyl]piperidine-1-carbonyl]-N-(4-methoxyphenyl)-1,3,4-thiadiazole-2-carboxamide is sourced from PubChem (CID 46330648), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).