1-[1-[[4-(4-acetylpiperazine-1-carbonyl)-1,3-thiazol-2-yl]methyl]-4-phenylpiperidin-4-yl]ethanone

C24H30N4O3S — CID 42859164

IUPAC1-[1-[[4-(4-acetylpiperazine-1-carbonyl)-1,3-thiazol-2-yl]methyl]-4-phenylpiperidin-4-yl]ethanone
SMILESCC(=O)N1CCN(C(=O)c2csc(CN3CCC(C(C)=O)(c4ccccc4)CC3)n2)CC1
InChIInChI=1S/C24H30N4O3S/c1-18(29)24(20-6-4-3-5-7-20)8-10-26(11-9-24)16-22-25-21(17-32-22)23(31)28-14-12-27(13-15-28)19(2)30/h3-7,17H,8-16H2,1-2H3
InChIKeyJVVLOYYZDMIRMP-UHFFFAOYSA-N
MW454.60 g/mol
LogP2.57
Rot. Bonds5

About 1-[1-[[4-(4-acetylpiperazine-1-carbonyl)-1,3-thiazol-2-yl]methyl]-4-phenylpiperidin-4-yl]ethanone

1-[1-[[4-(4-acetylpiperazine-1-carbonyl)-1,3-thiazol-2-yl]methyl]-4-phenylpiperidin-4-yl]ethanone (PubChem CID 42859164) has the molecular formula C24H30N4O3S and a molecular weight of 454.60 g/mol. Its IUPAC name is 1-[1-[[4-(4-acetylpiperazine-1-carbonyl)-1,3-thiazol-2-yl]methyl]-4-phenylpiperidin-4-yl]ethanone.

Molecular Properties

Compound Name1-[1-[[4-(4-acetylpiperazine-1-carbonyl)-1,3-thiazol-2-yl]methyl]-4-phenylpiperidin-4-yl]ethanone
PubChem CID42859164
Molecular FormulaC24H30N4O3S
Molecular Weight454.60 g/mol
Exact Mass454.20
IUPAC Name1-[1-[[4-(4-acetylpiperazine-1-carbonyl)-1,3-thiazol-2-yl]methyl]-4-phenylpiperidin-4-yl]ethanone
SMILESCC(=O)N1CCN(C(=O)c2csc(CN3CCC(C(C)=O)(c4ccccc4)CC3)n2)CC1
InChIInChI=1S/C24H30N4O3S/c1-18(29)24(20-6-4-3-5-7-20)8-10-26(11-9-24)16-22-25-21(17-32-22)23(31)28-14-12-27(13-15-28)19(2)30/h3-7,17H,8-16H2,1-2H3
InChIKeyJVVLOYYZDMIRMP-UHFFFAOYSA-N
XLogP2.57
TPSA73.82 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds5
Heavy Atoms32
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500454.60
LogP ≤ 52.57
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

Analyze 1-[1-[[4-(4-acetylpiperazine-1-carbonyl)-1,3-thiazol-2-yl]methyl]-4-phenylpiperidin-4-yl]ethanone with MolForge

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Related Compounds

1-[1-[[4-(4-methylpiperazine-1-carbonyl)-1,3-thiazol-2-yl]methyl]-4-phenylpiperidin-4-yl]ethanone
CID 42859167
1-[2-(4-methylphenyl)-1,3-thiazole-4-carbonyl]-4-phenylpiperidine-4-carboxylic acid
CID 45338261
[2-(2-aminoethyl)-1,3-thiazol-4-yl]-(4-benzyl-1,4-diazepan-1-yl)methanone
CID 120615804
[2-(aminomethyl)-1,3-thiazol-4-yl]-[4-(naphthalen-1-ylmethyl)piperazin-1-yl]methanone
CID 119834689
1-[4-phenyl-1-[(2-propan-2-ylpyrimidin-4-yl)methyl]piperidin-4-yl]ethanone
CID 56899461
(2-benzyl-1,3-thiazol-4-yl)-(4-methyl-1,4-diazepan-1-yl)methanone
CID 75403114
(2-benzyl-1,3-thiazol-4-yl)-[4-(thiophen-2-ylmethyl)-1,4-diazepan-1-yl]methanone
CID 35385015
(4-benzyl-1,4-diazepan-1-yl)-[2-[(4-methylphenoxy)methyl]-1,3-thiazol-4-yl]methanone
CID 18157563
1-(2-benzyl-1,3-thiazole-4-carbonyl)-4-hydroxypiperidine-4-carboxylic acid
CID 56919195
1-[2-(5-methylfuran-2-yl)-1,3-thiazole-4-carbonyl]-4-phenylpiperidine-4-carboxylic acid
CID 119168461
1-[4-(2-methyl-1,3-thiazole-4-carbonyl)piperazin-1-yl]ethanone
CID 47445163
2-[(4-acetyl-4-phenylpiperidin-1-yl)methyl]-N-(3-chlorophenyl)-1,3-oxazole-4-carboxamide
CID 42859054

Frequently Asked Questions

What is the IUPAC name of 1-[1-[[4-(4-acetylpiperazine-1-carbonyl)-1,3-thiazol-2-yl]methyl]-4-phenylpiperidin-4-yl]ethanone?
The IUPAC name of 1-[1-[[4-(4-acetylpiperazine-1-carbonyl)-1,3-thiazol-2-yl]methyl]-4-phenylpiperidin-4-yl]ethanone (CID 42859164) is 1-[1-[[4-(4-acetylpiperazine-1-carbonyl)-1,3-thiazol-2-yl]methyl]-4-phenylpiperidin-4-yl]ethanone.
What is the SMILES notation for 1-[1-[[4-(4-acetylpiperazine-1-carbonyl)-1,3-thiazol-2-yl]methyl]-4-phenylpiperidin-4-yl]ethanone?
The canonical SMILES for 1-[1-[[4-(4-acetylpiperazine-1-carbonyl)-1,3-thiazol-2-yl]methyl]-4-phenylpiperidin-4-yl]ethanone is CC(=O)N1CCN(C(=O)c2csc(CN3CCC(C(C)=O)(c4ccccc4)CC3)n2)CC1.
What is the InChIKey of 1-[1-[[4-(4-acetylpiperazine-1-carbonyl)-1,3-thiazol-2-yl]methyl]-4-phenylpiperidin-4-yl]ethanone?
The InChIKey is JVVLOYYZDMIRMP-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H30N4O3S/c1-18(29)24(20-6-4-3-5-7-20)8-10-26(11-9-24)16-22-25-21(17-32-22)23(31)28-14-12-27(13-15-28)19(2)30/h3-7,17H,8-16H2,1-2H3.
What are the key properties of 1-[1-[[4-(4-acetylpiperazine-1-carbonyl)-1,3-thiazol-2-yl]methyl]-4-phenylpiperidin-4-yl]ethanone?
1-[1-[[4-(4-acetylpiperazine-1-carbonyl)-1,3-thiazol-2-yl]methyl]-4-phenylpiperidin-4-yl]ethanone has a molecular weight of 454.60 g/mol, XLogP of 2.57, 5 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[1-[[4-(4-acetylpiperazine-1-carbonyl)-1,3-thiazol-2-yl]methyl]-4-phenylpiperidin-4-yl]ethanone is sourced from PubChem (CID 42859164), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).