1-[4-(4-chlorophenyl)piperazin-1-yl]-2-[4-(5-methyl-1,3,4-thiadiazol-2-yl)piperidin-1-yl]ethanone

C20H26ClN5OS — CID 71793810

IUPAC1-[4-(4-chlorophenyl)piperazin-1-yl]-2-[4-(5-methyl-1,3,4-thiadiazol-2-yl)piperidin-1-yl]ethanone
SMILESCc1nnc(C2CCN(CC(=O)N3CCN(c4ccc(Cl)cc4)CC3)CC2)s1
InChIInChI=1S/C20H26ClN5OS/c1-15-22-23-20(28-15)16-6-8-24(9-7-16)14-19(27)26-12-10-25(11-13-26)18-4-2-17(21)3-5-18/h2-5,16H,6-14H2,1H3
InChIKeySLZBVSQJJCYVAQ-UHFFFAOYSA-N
MW419.98 g/mol
LogP3.03
Rot. Bonds4

About 1-[4-(4-chlorophenyl)piperazin-1-yl]-2-[4-(5-methyl-1,3,4-thiadiazol-2-yl)piperidin-1-yl]ethanone

1-[4-(4-chlorophenyl)piperazin-1-yl]-2-[4-(5-methyl-1,3,4-thiadiazol-2-yl)piperidin-1-yl]ethanone (PubChem CID 71793810) has the molecular formula C20H26ClN5OS and a molecular weight of 419.98 g/mol. Its IUPAC name is 1-[4-(4-chlorophenyl)piperazin-1-yl]-2-[4-(5-methyl-1,3,4-thiadiazol-2-yl)piperidin-1-yl]ethanone.

Molecular Properties

Compound Name1-[4-(4-chlorophenyl)piperazin-1-yl]-2-[4-(5-methyl-1,3,4-thiadiazol-2-yl)piperidin-1-yl]ethanone
PubChem CID71793810
Molecular FormulaC20H26ClN5OS
Molecular Weight419.98 g/mol
Exact Mass419.15
IUPAC Name1-[4-(4-chlorophenyl)piperazin-1-yl]-2-[4-(5-methyl-1,3,4-thiadiazol-2-yl)piperidin-1-yl]ethanone
SMILESCc1nnc(C2CCN(CC(=O)N3CCN(c4ccc(Cl)cc4)CC3)CC2)s1
InChIInChI=1S/C20H26ClN5OS/c1-15-22-23-20(28-15)16-6-8-24(9-7-16)14-19(27)26-12-10-25(11-13-26)18-4-2-17(21)3-5-18/h2-5,16H,6-14H2,1H3
InChIKeySLZBVSQJJCYVAQ-UHFFFAOYSA-N
XLogP3.03
TPSA52.57 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds4
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500419.98
LogP ≤ 53.03
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

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Related Compounds

1,2-bis[4-(4-chlorophenyl)piperazin-1-yl]ethanone
CID 122195196
1-[(2S,6S)-2,6-dimethylmorpholin-4-yl]-2-[4-(5-methyl-1,3,4-thiadiazol-2-yl)piperidin-1-yl]ethanone
CID 97047593
1-[4-(4-chlorophenyl)piperazin-1-yl]-2-[4-[(3,5-dimethylpyrazol-1-yl)methyl]piperidin-1-yl]ethanone
CID 90495503
ethyl 1-[2-[4-(4-chlorophenyl)piperazin-1-yl]acetyl]piperidine-4-carboxylate
CID 46056192
1-[4-(4-chlorophenyl)piperazin-1-yl]-2-[4-(pyrazol-1-ylmethyl)piperidin-1-yl]ethanone
CID 90495308
1-(4-chlorophenyl)-4-[4-(5-methyl-1,3,4-thiadiazol-2-yl)piperidine-1-carbonyl]pyrrolidin-2-one
CID 71780419
1-[4-(4-chlorophenyl)piperazin-1-yl]-2-[4-[(2-ethylimidazol-1-yl)methyl]piperidin-1-yl]ethanone
CID 90494024
1-[4-(4-chlorophenyl)piperazin-1-yl]-2-(3-methyl-5-methylsulfanyl-1,2,4-triazol-1-yl)ethanone
CID 142843319
1-[2-[4-(3-chlorophenyl)piperazin-1-yl]-2-oxoethyl]piperidine-4-carboxamide
CID 16909259
1-[4-(4-chlorophenyl)piperazin-1-yl]-2-piperidin-4-ylethanone
CID 119843563
N-(furan-2-ylmethyl)-2-[4-(5-methyl-1,3,4-thiadiazol-2-yl)piperidin-1-yl]acetamide
CID 71793804
2-(4-chlorophenoxy)-1-[4-(5-cyclohexyl-1,3,4-thiadiazol-2-yl)piperazin-1-yl]ethanone
CID 108753488

Frequently Asked Questions

What is the IUPAC name of 1-[4-(4-chlorophenyl)piperazin-1-yl]-2-[4-(5-methyl-1,3,4-thiadiazol-2-yl)piperidin-1-yl]ethanone?
The IUPAC name of 1-[4-(4-chlorophenyl)piperazin-1-yl]-2-[4-(5-methyl-1,3,4-thiadiazol-2-yl)piperidin-1-yl]ethanone (CID 71793810) is 1-[4-(4-chlorophenyl)piperazin-1-yl]-2-[4-(5-methyl-1,3,4-thiadiazol-2-yl)piperidin-1-yl]ethanone.
What is the SMILES notation for 1-[4-(4-chlorophenyl)piperazin-1-yl]-2-[4-(5-methyl-1,3,4-thiadiazol-2-yl)piperidin-1-yl]ethanone?
The canonical SMILES for 1-[4-(4-chlorophenyl)piperazin-1-yl]-2-[4-(5-methyl-1,3,4-thiadiazol-2-yl)piperidin-1-yl]ethanone is Cc1nnc(C2CCN(CC(=O)N3CCN(c4ccc(Cl)cc4)CC3)CC2)s1.
What is the InChIKey of 1-[4-(4-chlorophenyl)piperazin-1-yl]-2-[4-(5-methyl-1,3,4-thiadiazol-2-yl)piperidin-1-yl]ethanone?
The InChIKey is SLZBVSQJJCYVAQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H26ClN5OS/c1-15-22-23-20(28-15)16-6-8-24(9-7-16)14-19(27)26-12-10-25(11-13-26)18-4-2-17(21)3-5-18/h2-5,16H,6-14H2,1H3.
What are the key properties of 1-[4-(4-chlorophenyl)piperazin-1-yl]-2-[4-(5-methyl-1,3,4-thiadiazol-2-yl)piperidin-1-yl]ethanone?
1-[4-(4-chlorophenyl)piperazin-1-yl]-2-[4-(5-methyl-1,3,4-thiadiazol-2-yl)piperidin-1-yl]ethanone has a molecular weight of 419.98 g/mol, XLogP of 3.03, 4 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[4-(4-chlorophenyl)piperazin-1-yl]-2-[4-(5-methyl-1,3,4-thiadiazol-2-yl)piperidin-1-yl]ethanone is sourced from PubChem (CID 71793810), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).