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

C23H30N4O2S — CID 42859167

IUPAC1-[1-[[4-(4-methylpiperazine-1-carbonyl)-1,3-thiazol-2-yl]methyl]-4-phenylpiperidin-4-yl]ethanone
SMILESCC(=O)C1(c2ccccc2)CCN(Cc2nc(C(=O)N3CCN(C)CC3)cs2)CC1
InChIInChI=1S/C23H30N4O2S/c1-18(28)23(19-6-4-3-5-7-19)8-10-26(11-9-23)16-21-24-20(17-30-21)22(29)27-14-12-25(2)13-15-27/h3-7,17H,8-16H2,1-2H3
InChIKeyYCWGNXFOLPZMSD-UHFFFAOYSA-N
MW426.59 g/mol
LogP2.65
Rot. Bonds5

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

1-[1-[[4-(4-methylpiperazine-1-carbonyl)-1,3-thiazol-2-yl]methyl]-4-phenylpiperidin-4-yl]ethanone (PubChem CID 42859167) has the molecular formula C23H30N4O2S and a molecular weight of 426.59 g/mol. Its IUPAC name is 1-[1-[[4-(4-methylpiperazine-1-carbonyl)-1,3-thiazol-2-yl]methyl]-4-phenylpiperidin-4-yl]ethanone.

Molecular Properties

Compound Name1-[1-[[4-(4-methylpiperazine-1-carbonyl)-1,3-thiazol-2-yl]methyl]-4-phenylpiperidin-4-yl]ethanone
PubChem CID42859167
Molecular FormulaC23H30N4O2S
Molecular Weight426.59 g/mol
Exact Mass426.21
IUPAC Name1-[1-[[4-(4-methylpiperazine-1-carbonyl)-1,3-thiazol-2-yl]methyl]-4-phenylpiperidin-4-yl]ethanone
SMILESCC(=O)C1(c2ccccc2)CCN(Cc2nc(C(=O)N3CCN(C)CC3)cs2)CC1
InChIInChI=1S/C23H30N4O2S/c1-18(28)23(19-6-4-3-5-7-19)8-10-26(11-9-23)16-21-24-20(17-30-21)22(29)27-14-12-25(2)13-15-27/h3-7,17H,8-16H2,1-2H3
InChIKeyYCWGNXFOLPZMSD-UHFFFAOYSA-N
XLogP2.65
TPSA56.75 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds5
Heavy Atoms30
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500426.59
LogP ≤ 52.65
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

Analyze 1-[1-[[4-(4-methylpiperazine-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-acetylpiperazine-1-carbonyl)-1,3-thiazol-2-yl]methyl]-4-phenylpiperidin-4-yl]ethanone
CID 42859164
(2-benzyl-1,3-thiazol-4-yl)-(4-methyl-1,4-diazepan-1-yl)methanone
CID 75403114
ethane;1-(1-methyl-4-phenylpiperidin-4-yl)ethanone
CID 142234694
(1-benzyl-4-phenylpiperidin-4-yl)-(4-methylpiperazin-1-yl)methanone
CID 59395182
1-[1-[[4-(4-ethylpiperazine-1-carbonyl)phenyl]methyl]-4-phenylpiperidin-4-yl]ethanone
CID 46162223
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-benzyl-1,3-thiazol-4-yl)-[4-(thiophen-2-ylmethyl)-1,4-diazepan-1-yl]methanone
CID 35385015
1-[4-phenyl-1-[(2-propan-2-ylpyrimidin-4-yl)methyl]piperidin-4-yl]ethanone
CID 56899461
1-[2-(5-methylfuran-2-yl)-1,3-thiazole-4-carbonyl]-4-phenylpiperidine-4-carboxylic acid
CID 119168461
(2-propyl-1,3-thiazol-4-yl)-[4-(thiophen-2-ylmethyl)-1,4-diazepan-1-yl]methanone
CID 70735530
[2-[(3-methylphenoxy)methyl]-1,3-thiazol-4-yl]-(4-methylpiperazin-1-yl)methanone
CID 24712422

Frequently Asked Questions

What is the IUPAC name of 1-[1-[[4-(4-methylpiperazine-1-carbonyl)-1,3-thiazol-2-yl]methyl]-4-phenylpiperidin-4-yl]ethanone?
The IUPAC name of 1-[1-[[4-(4-methylpiperazine-1-carbonyl)-1,3-thiazol-2-yl]methyl]-4-phenylpiperidin-4-yl]ethanone (CID 42859167) is 1-[1-[[4-(4-methylpiperazine-1-carbonyl)-1,3-thiazol-2-yl]methyl]-4-phenylpiperidin-4-yl]ethanone.
What is the SMILES notation for 1-[1-[[4-(4-methylpiperazine-1-carbonyl)-1,3-thiazol-2-yl]methyl]-4-phenylpiperidin-4-yl]ethanone?
The canonical SMILES for 1-[1-[[4-(4-methylpiperazine-1-carbonyl)-1,3-thiazol-2-yl]methyl]-4-phenylpiperidin-4-yl]ethanone is CC(=O)C1(c2ccccc2)CCN(Cc2nc(C(=O)N3CCN(C)CC3)cs2)CC1.
What is the InChIKey of 1-[1-[[4-(4-methylpiperazine-1-carbonyl)-1,3-thiazol-2-yl]methyl]-4-phenylpiperidin-4-yl]ethanone?
The InChIKey is YCWGNXFOLPZMSD-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H30N4O2S/c1-18(28)23(19-6-4-3-5-7-19)8-10-26(11-9-23)16-21-24-20(17-30-21)22(29)27-14-12-25(2)13-15-27/h3-7,17H,8-16H2,1-2H3.
What are the key properties of 1-[1-[[4-(4-methylpiperazine-1-carbonyl)-1,3-thiazol-2-yl]methyl]-4-phenylpiperidin-4-yl]ethanone?
1-[1-[[4-(4-methylpiperazine-1-carbonyl)-1,3-thiazol-2-yl]methyl]-4-phenylpiperidin-4-yl]ethanone has a molecular weight of 426.59 g/mol, XLogP of 2.65, 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-methylpiperazine-1-carbonyl)-1,3-thiazol-2-yl]methyl]-4-phenylpiperidin-4-yl]ethanone is sourced from PubChem (CID 42859167), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).