2-(1-acetylpiperidin-4-yl)-1-[4-[(4-chlorophenyl)-(1,3-thiazol-5-yl)methyl]-2-methylpiperazin-1-yl]ethanone

C24H31ClN4O2S — CID 71058776

IUPAC2-(1-acetylpiperidin-4-yl)-1-[4-[(4-chlorophenyl)-(1,3-thiazol-5-yl)methyl]-2-methylpiperazin-1-yl]ethanone
SMILESCC(=O)N1CCC(CC(=O)N2CCN(C(c3ccc(Cl)cc3)c3cncs3)CC2C)CC1
InChIInChI=1S/C24H31ClN4O2S/c1-17-15-28(24(22-14-26-16-32-22)20-3-5-21(25)6-4-20)11-12-29(17)23(31)13-19-7-9-27(10-8-19)18(2)30/h3-6,14,16-17,19,24H,7-13,15H2,1-2H3
InChIKeyBUPBKFQUOWEYRK-UHFFFAOYSA-N
MW475.06 g/mol
LogP4.07
Rot. Bonds5

About 2-(1-acetylpiperidin-4-yl)-1-[4-[(4-chlorophenyl)-(1,3-thiazol-5-yl)methyl]-2-methylpiperazin-1-yl]ethanone

2-(1-acetylpiperidin-4-yl)-1-[4-[(4-chlorophenyl)-(1,3-thiazol-5-yl)methyl]-2-methylpiperazin-1-yl]ethanone (PubChem CID 71058776) has the molecular formula C24H31ClN4O2S and a molecular weight of 475.06 g/mol. Its IUPAC name is 2-(1-acetylpiperidin-4-yl)-1-[4-[(4-chlorophenyl)-(1,3-thiazol-5-yl)methyl]-2-methylpiperazin-1-yl]ethanone.

Molecular Properties

Compound Name2-(1-acetylpiperidin-4-yl)-1-[4-[(4-chlorophenyl)-(1,3-thiazol-5-yl)methyl]-2-methylpiperazin-1-yl]ethanone
PubChem CID71058776
Molecular FormulaC24H31ClN4O2S
Molecular Weight475.06 g/mol
Exact Mass474.19
IUPAC Name2-(1-acetylpiperidin-4-yl)-1-[4-[(4-chlorophenyl)-(1,3-thiazol-5-yl)methyl]-2-methylpiperazin-1-yl]ethanone
SMILESCC(=O)N1CCC(CC(=O)N2CCN(C(c3ccc(Cl)cc3)c3cncs3)CC2C)CC1
InChIInChI=1S/C24H31ClN4O2S/c1-17-15-28(24(22-14-26-16-32-22)20-3-5-21(25)6-4-20)11-12-29(17)23(31)13-19-7-9-27(10-8-19)18(2)30/h3-6,14,16-17,19,24H,7-13,15H2,1-2H3
InChIKeyBUPBKFQUOWEYRK-UHFFFAOYSA-N
XLogP4.07
TPSA56.75 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms32
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500475.06
LogP ≤ 54.07
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 2-(1-acetylpiperidin-4-yl)-1-[4-[(4-chlorophenyl)-(1,3-thiazol-5-yl)methyl]-2-methylpiperazin-1-yl]ethanone?
The IUPAC name of 2-(1-acetylpiperidin-4-yl)-1-[4-[(4-chlorophenyl)-(1,3-thiazol-5-yl)methyl]-2-methylpiperazin-1-yl]ethanone (CID 71058776) is 2-(1-acetylpiperidin-4-yl)-1-[4-[(4-chlorophenyl)-(1,3-thiazol-5-yl)methyl]-2-methylpiperazin-1-yl]ethanone.
What is the SMILES notation for 2-(1-acetylpiperidin-4-yl)-1-[4-[(4-chlorophenyl)-(1,3-thiazol-5-yl)methyl]-2-methylpiperazin-1-yl]ethanone?
The canonical SMILES for 2-(1-acetylpiperidin-4-yl)-1-[4-[(4-chlorophenyl)-(1,3-thiazol-5-yl)methyl]-2-methylpiperazin-1-yl]ethanone is CC(=O)N1CCC(CC(=O)N2CCN(C(c3ccc(Cl)cc3)c3cncs3)CC2C)CC1.
What is the InChIKey of 2-(1-acetylpiperidin-4-yl)-1-[4-[(4-chlorophenyl)-(1,3-thiazol-5-yl)methyl]-2-methylpiperazin-1-yl]ethanone?
The InChIKey is BUPBKFQUOWEYRK-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H31ClN4O2S/c1-17-15-28(24(22-14-26-16-32-22)20-3-5-21(25)6-4-20)11-12-29(17)23(31)13-19-7-9-27(10-8-19)18(2)30/h3-6,14,16-17,19,24H,7-13,15H2,1-2H3.
What are the key properties of 2-(1-acetylpiperidin-4-yl)-1-[4-[(4-chlorophenyl)-(1,3-thiazol-5-yl)methyl]-2-methylpiperazin-1-yl]ethanone?
2-(1-acetylpiperidin-4-yl)-1-[4-[(4-chlorophenyl)-(1,3-thiazol-5-yl)methyl]-2-methylpiperazin-1-yl]ethanone has a molecular weight of 475.06 g/mol, XLogP of 4.07, 5 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(1-acetylpiperidin-4-yl)-1-[4-[(4-chlorophenyl)-(1,3-thiazol-5-yl)methyl]-2-methylpiperazin-1-yl]ethanone is sourced from PubChem (CID 71058776), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).