N-[5-[3-(4-benzylpiperazine-1-carbonyl)piperidin-1-yl]-1,2,4-thiadiazol-3-yl]acetamide

C21H28N6O2S — CID 53201163

IUPACN-[5-[3-(4-benzylpiperazine-1-carbonyl)piperidin-1-yl]-1,2,4-thiadiazol-3-yl]acetamide
SMILESCC(=O)Nc1nsc(N2CCCC(C(=O)N3CCN(Cc4ccccc4)CC3)C2)n1
InChIInChI=1S/C21H28N6O2S/c1-16(28)22-20-23-21(30-24-20)27-9-5-8-18(15-27)19(29)26-12-10-25(11-13-26)14-17-6-3-2-4-7-17/h2-4,6-7,18H,5,8-15H2,1H3,(H,22,24,28)
InChIKeyOZJOEYJFEZKLFB-UHFFFAOYSA-N
MW428.56 g/mol
LogP2.06
Rot. Bonds5

About N-[5-[3-(4-benzylpiperazine-1-carbonyl)piperidin-1-yl]-1,2,4-thiadiazol-3-yl]acetamide

N-[5-[3-(4-benzylpiperazine-1-carbonyl)piperidin-1-yl]-1,2,4-thiadiazol-3-yl]acetamide (PubChem CID 53201163) has the molecular formula C21H28N6O2S and a molecular weight of 428.56 g/mol. Its IUPAC name is N-[5-[3-(4-benzylpiperazine-1-carbonyl)piperidin-1-yl]-1,2,4-thiadiazol-3-yl]acetamide.

Molecular Properties

Compound NameN-[5-[3-(4-benzylpiperazine-1-carbonyl)piperidin-1-yl]-1,2,4-thiadiazol-3-yl]acetamide
PubChem CID53201163
Molecular FormulaC21H28N6O2S
Molecular Weight428.56 g/mol
Exact Mass428.20
IUPAC NameN-[5-[3-(4-benzylpiperazine-1-carbonyl)piperidin-1-yl]-1,2,4-thiadiazol-3-yl]acetamide
SMILESCC(=O)Nc1nsc(N2CCCC(C(=O)N3CCN(Cc4ccccc4)CC3)C2)n1
InChIInChI=1S/C21H28N6O2S/c1-16(28)22-20-23-21(30-24-20)27-9-5-8-18(15-27)19(29)26-12-10-25(11-13-26)14-17-6-3-2-4-7-17/h2-4,6-7,18H,5,8-15H2,1H3,(H,22,24,28)
InChIKeyOZJOEYJFEZKLFB-UHFFFAOYSA-N
XLogP2.06
TPSA81.67 Ų
H-Bond Donors1
H-Bond Acceptors7
Rotatable Bonds5
Heavy Atoms30
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500428.56
LogP ≤ 52.06
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 107

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Related Compounds

1-[4-[1-(3-benzyl-1,2,4-thiadiazol-5-yl)piperidine-3-carbonyl]piperazin-1-yl]ethanone
CID 3899521
1-(3-acetamido-1,2,4-thiadiazol-5-yl)-N-[(2-chlorophenyl)methyl]piperidine-3-carboxamide
CID 53201176
ethyl 4-[1-(3-benzyl-1,2,4-thiadiazol-5-yl)piperidine-3-carbonyl]piperazine-1-carboxylate
CID 3927173
(4-benzylpiperazin-1-yl)-[1-(6-fluoro-1,3-benzothiazol-2-yl)piperidin-3-yl]methanone
CID 90610151
[1-(3-benzyl-1,2,4-thiadiazol-5-yl)piperidin-3-yl]-(2,6-dimethylmorpholin-4-yl)methanone
CID 3478297
N-(1-benzylpiperidin-4-yl)-1-(3-benzyl-1,2,4-thiadiazol-5-yl)piperidine-3-carboxamide
CID 3873283
(4-benzylpiperazin-1-yl)-[(3R)-1-(6-ethoxy-1,3-benzothiazol-2-yl)piperidin-3-yl]methanone
CID 92667756
[(3R)-1-(3-benzyl-1,2,4-thiadiazol-5-yl)piperidin-3-yl]-(4-ethylpiperazin-4-ium-1-yl)methanone
CID 7414456
1-(3-benzyl-1,2,4-thiadiazol-5-yl)piperidine-3-carboxylic acid
CID 5236137
(4-benzylpiperazin-1-yl)-[(3R)-1-[(2,6-dichlorophenyl)methyl]piperidin-3-yl]methanone
CID 93491661
[(3S)-1-[3-[(4-chlorophenyl)methyl]-1,2,4-thiadiazol-5-yl]piperidin-3-yl]-pyrrolidin-1-ylmethanone
CID 7482379
(4-benzylpiperazin-1-yl)-[(3R)-1-methylsulfonylpiperidin-3-yl]methanone
CID 7376452

Frequently Asked Questions

What is the IUPAC name of N-[5-[3-(4-benzylpiperazine-1-carbonyl)piperidin-1-yl]-1,2,4-thiadiazol-3-yl]acetamide?
The IUPAC name of N-[5-[3-(4-benzylpiperazine-1-carbonyl)piperidin-1-yl]-1,2,4-thiadiazol-3-yl]acetamide (CID 53201163) is N-[5-[3-(4-benzylpiperazine-1-carbonyl)piperidin-1-yl]-1,2,4-thiadiazol-3-yl]acetamide.
What is the SMILES notation for N-[5-[3-(4-benzylpiperazine-1-carbonyl)piperidin-1-yl]-1,2,4-thiadiazol-3-yl]acetamide?
The canonical SMILES for N-[5-[3-(4-benzylpiperazine-1-carbonyl)piperidin-1-yl]-1,2,4-thiadiazol-3-yl]acetamide is CC(=O)Nc1nsc(N2CCCC(C(=O)N3CCN(Cc4ccccc4)CC3)C2)n1.
What is the InChIKey of N-[5-[3-(4-benzylpiperazine-1-carbonyl)piperidin-1-yl]-1,2,4-thiadiazol-3-yl]acetamide?
The InChIKey is OZJOEYJFEZKLFB-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H28N6O2S/c1-16(28)22-20-23-21(30-24-20)27-9-5-8-18(15-27)19(29)26-12-10-25(11-13-26)14-17-6-3-2-4-7-17/h2-4,6-7,18H,5,8-15H2,1H3,(H,22,24,28).
What are the key properties of N-[5-[3-(4-benzylpiperazine-1-carbonyl)piperidin-1-yl]-1,2,4-thiadiazol-3-yl]acetamide?
N-[5-[3-(4-benzylpiperazine-1-carbonyl)piperidin-1-yl]-1,2,4-thiadiazol-3-yl]acetamide has a molecular weight of 428.56 g/mol, XLogP of 2.06, 5 rotatable bonds, 1 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for N-[5-[3-(4-benzylpiperazine-1-carbonyl)piperidin-1-yl]-1,2,4-thiadiazol-3-yl]acetamide is sourced from PubChem (CID 53201163), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).