4-methyl-1-[4-[4-[(4-methylpiperidin-1-yl)methyl]-1,3-thiazol-2-yl]piperazin-1-yl]pentan-1-one

C20H34N4OS — CID 53158726

IUPAC4-methyl-1-[4-[4-[(4-methylpiperidin-1-yl)methyl]-1,3-thiazol-2-yl]piperazin-1-yl]pentan-1-one
SMILESCC(C)CCC(=O)N1CCN(c2nc(CN3CCC(C)CC3)cs2)CC1
InChIInChI=1S/C20H34N4OS/c1-16(2)4-5-19(25)23-10-12-24(13-11-23)20-21-18(15-26-20)14-22-8-6-17(3)7-9-22/h15-17H,4-14H2,1-3H3
InChIKeyQRPBNYLMBAKSIV-UHFFFAOYSA-N
MW378.59 g/mol
LogP3.46
Rot. Bonds6

About 4-methyl-1-[4-[4-[(4-methylpiperidin-1-yl)methyl]-1,3-thiazol-2-yl]piperazin-1-yl]pentan-1-one

4-methyl-1-[4-[4-[(4-methylpiperidin-1-yl)methyl]-1,3-thiazol-2-yl]piperazin-1-yl]pentan-1-one (PubChem CID 53158726) has the molecular formula C20H34N4OS and a molecular weight of 378.59 g/mol. Its IUPAC name is 4-methyl-1-[4-[4-[(4-methylpiperidin-1-yl)methyl]-1,3-thiazol-2-yl]piperazin-1-yl]pentan-1-one.

Molecular Properties

Compound Name4-methyl-1-[4-[4-[(4-methylpiperidin-1-yl)methyl]-1,3-thiazol-2-yl]piperazin-1-yl]pentan-1-one
PubChem CID53158726
Molecular FormulaC20H34N4OS
Molecular Weight378.59 g/mol
Exact Mass378.25
IUPAC Name4-methyl-1-[4-[4-[(4-methylpiperidin-1-yl)methyl]-1,3-thiazol-2-yl]piperazin-1-yl]pentan-1-one
SMILESCC(C)CCC(=O)N1CCN(c2nc(CN3CCC(C)CC3)cs2)CC1
InChIInChI=1S/C20H34N4OS/c1-16(2)4-5-19(25)23-10-12-24(13-11-23)20-21-18(15-26-20)14-22-8-6-17(3)7-9-22/h15-17H,4-14H2,1-3H3
InChIKeyQRPBNYLMBAKSIV-UHFFFAOYSA-N
XLogP3.46
TPSA39.68 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500378.59
LogP ≤ 53.46
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

Analyze 4-methyl-1-[4-[4-[(4-methylpiperidin-1-yl)methyl]-1,3-thiazol-2-yl]piperazin-1-yl]pentan-1-one with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

1-[4-(4-Methyl-1,3-thiazol-2-yl)piperazine-1-carbonyl]cyclopentane-1-carbonitrile
CID 35165637
N-(4-methyl-2-morpholin-4-ylpentyl)-1-(4-methyl-1,3-thiazol-2-yl)piperidine-4-carboxamide
CID 47080457
1-[4-(4-Methyl-1,3-thiazol-2-yl)piperazine-1-carbonyl]cyclohexane-1-carbonitrile
CID 56819709
1-{2-[1-(4-Methyl-1,3-thiazol-2-YL)piperidin-4-YL]ethyl}pyrrolidin-2-one
CID 70754973
[4-[4-(Azepan-1-ylmethyl)-1,3-thiazol-2-yl]piperazin-1-yl]-cyclohexylmethanone
CID 53158607
[2-(4-Methylpiperazin-1-yl)-1,3-thiazol-4-yl]-piperidin-1-ylmethanone
CID 53014669
2-Cyclopentyl-1-[4-[4-(pyrrolidin-1-ylmethyl)-1,3-thiazol-2-yl]piperazin-1-yl]ethanone
CID 53158495
2-Cyclohexyl-1-{4-[4-(1-pyrrolidinylmethyl)-1,3-thiazol-2-YL]piperazino}-1-ethanone
CID 53158498
Cyclopentyl-[4-[4-(pyrrolidin-1-ylmethyl)-1,3-thiazol-2-yl]piperazin-1-yl]methanone
CID 53158499
Cyclohexyl{4-[4-(piperidinomethyl)-1,3-thiazol-2-YL]piperazino}methanone
CID 53158522
2-Cyclohexyl-1-{4-[4-(piperidinomethyl)-1,3-thiazol-2-yl]piperazino}-1-ethanone
CID 53158535
Cyclopropyl-[4-[4-(piperidin-1-ylmethyl)-1,3-thiazol-2-yl]piperazin-1-yl]methanone
CID 53158537

Frequently Asked Questions

What is the IUPAC name of 4-methyl-1-[4-[4-[(4-methylpiperidin-1-yl)methyl]-1,3-thiazol-2-yl]piperazin-1-yl]pentan-1-one?
The IUPAC name of 4-methyl-1-[4-[4-[(4-methylpiperidin-1-yl)methyl]-1,3-thiazol-2-yl]piperazin-1-yl]pentan-1-one (CID 53158726) is 4-methyl-1-[4-[4-[(4-methylpiperidin-1-yl)methyl]-1,3-thiazol-2-yl]piperazin-1-yl]pentan-1-one.
What is the SMILES notation for 4-methyl-1-[4-[4-[(4-methylpiperidin-1-yl)methyl]-1,3-thiazol-2-yl]piperazin-1-yl]pentan-1-one?
The canonical SMILES for 4-methyl-1-[4-[4-[(4-methylpiperidin-1-yl)methyl]-1,3-thiazol-2-yl]piperazin-1-yl]pentan-1-one is CC(C)CCC(=O)N1CCN(c2nc(CN3CCC(C)CC3)cs2)CC1.
What is the InChIKey of 4-methyl-1-[4-[4-[(4-methylpiperidin-1-yl)methyl]-1,3-thiazol-2-yl]piperazin-1-yl]pentan-1-one?
The InChIKey is QRPBNYLMBAKSIV-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H34N4OS/c1-16(2)4-5-19(25)23-10-12-24(13-11-23)20-21-18(15-26-20)14-22-8-6-17(3)7-9-22/h15-17H,4-14H2,1-3H3.
What are the key properties of 4-methyl-1-[4-[4-[(4-methylpiperidin-1-yl)methyl]-1,3-thiazol-2-yl]piperazin-1-yl]pentan-1-one?
4-methyl-1-[4-[4-[(4-methylpiperidin-1-yl)methyl]-1,3-thiazol-2-yl]piperazin-1-yl]pentan-1-one has a molecular weight of 378.59 g/mol, XLogP of 3.46, 6 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 4-methyl-1-[4-[4-[(4-methylpiperidin-1-yl)methyl]-1,3-thiazol-2-yl]piperazin-1-yl]pentan-1-one is sourced from PubChem (CID 53158726), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).