cyclopentyl-[4-[4-[(4-methylpiperidin-1-yl)methyl]-1,3-thiazol-2-yl]piperazin-1-yl]methanone

C20H32N4OS — CID 53158576

IUPACcyclopentyl-[4-[4-[(4-methylpiperidin-1-yl)methyl]-1,3-thiazol-2-yl]piperazin-1-yl]methanone
SMILESCC1CCN(Cc2csc(N3CCN(C(=O)C4CCCC4)CC3)n2)CC1
InChIInChI=1S/C20H32N4OS/c1-16-6-8-22(9-7-16)14-18-15-26-20(21-18)24-12-10-23(11-13-24)19(25)17-4-2-3-5-17/h15-17H,2-14H2,1H3
InChIKeyLHOIBNIDQMTOFR-UHFFFAOYSA-N
MW376.57 g/mol
LogP3.21
Rot. Bonds4

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

cyclopentyl-[4-[4-[(4-methylpiperidin-1-yl)methyl]-1,3-thiazol-2-yl]piperazin-1-yl]methanone (PubChem CID 53158576) has the molecular formula C20H32N4OS and a molecular weight of 376.57 g/mol. Its IUPAC name is cyclopentyl-[4-[4-[(4-methylpiperidin-1-yl)methyl]-1,3-thiazol-2-yl]piperazin-1-yl]methanone.

Molecular Properties

Compound Namecyclopentyl-[4-[4-[(4-methylpiperidin-1-yl)methyl]-1,3-thiazol-2-yl]piperazin-1-yl]methanone
PubChem CID53158576
Molecular FormulaC20H32N4OS
Molecular Weight376.57 g/mol
Exact Mass376.23
IUPAC Namecyclopentyl-[4-[4-[(4-methylpiperidin-1-yl)methyl]-1,3-thiazol-2-yl]piperazin-1-yl]methanone
SMILESCC1CCN(Cc2csc(N3CCN(C(=O)C4CCCC4)CC3)n2)CC1
InChIInChI=1S/C20H32N4OS/c1-16-6-8-22(9-7-16)14-18-15-26-20(21-18)24-12-10-23(11-13-24)19(25)17-4-2-3-5-17/h15-17H,2-14H2,1H3
InChIKeyLHOIBNIDQMTOFR-UHFFFAOYSA-N
XLogP3.21
TPSA39.68 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500376.57
LogP ≤ 53.21
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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

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Related Compounds

1-[4-(4-Methyl-1,3-thiazol-2-yl)piperazine-1-carbonyl]cyclopentane-1-carbonitrile
CID 35165637
1-[4-(4-Methyl-1,3-thiazol-2-yl)piperazine-1-carbonyl]cyclohexane-1-carbonitrile
CID 56819709
9-(Cyclopentylmethyl)-4-methyl-1-[(2-methyl-1,3-thiazol-4-yl)methyl]-1,4,9-triazaspiro[5.5]undecan-5-one
CID 97398761
[4-[4-(Azepan-1-ylmethyl)-1,3-thiazol-2-yl]piperazin-1-yl]-cyclohexylmethanone
CID 53158607
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
Cyclobutyl-[4-[4-(piperidin-1-ylmethyl)-1,3-thiazol-2-yl]piperazin-1-yl]methanone
CID 53158539
Cyclohexyl(4-{4-[(4-methylpiperidino)methyl]-1,3-thiazol-2-yl}piperazino)methanone
CID 53158571

Frequently Asked Questions

What is the IUPAC name of cyclopentyl-[4-[4-[(4-methylpiperidin-1-yl)methyl]-1,3-thiazol-2-yl]piperazin-1-yl]methanone?
The IUPAC name of cyclopentyl-[4-[4-[(4-methylpiperidin-1-yl)methyl]-1,3-thiazol-2-yl]piperazin-1-yl]methanone (CID 53158576) is cyclopentyl-[4-[4-[(4-methylpiperidin-1-yl)methyl]-1,3-thiazol-2-yl]piperazin-1-yl]methanone.
What is the SMILES notation for cyclopentyl-[4-[4-[(4-methylpiperidin-1-yl)methyl]-1,3-thiazol-2-yl]piperazin-1-yl]methanone?
The canonical SMILES for cyclopentyl-[4-[4-[(4-methylpiperidin-1-yl)methyl]-1,3-thiazol-2-yl]piperazin-1-yl]methanone is CC1CCN(Cc2csc(N3CCN(C(=O)C4CCCC4)CC3)n2)CC1.
What is the InChIKey of cyclopentyl-[4-[4-[(4-methylpiperidin-1-yl)methyl]-1,3-thiazol-2-yl]piperazin-1-yl]methanone?
The InChIKey is LHOIBNIDQMTOFR-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H32N4OS/c1-16-6-8-22(9-7-16)14-18-15-26-20(21-18)24-12-10-23(11-13-24)19(25)17-4-2-3-5-17/h15-17H,2-14H2,1H3.
What are the key properties of cyclopentyl-[4-[4-[(4-methylpiperidin-1-yl)methyl]-1,3-thiazol-2-yl]piperazin-1-yl]methanone?
cyclopentyl-[4-[4-[(4-methylpiperidin-1-yl)methyl]-1,3-thiazol-2-yl]piperazin-1-yl]methanone has a molecular weight of 376.57 g/mol, XLogP of 3.21, 4 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for cyclopentyl-[4-[4-[(4-methylpiperidin-1-yl)methyl]-1,3-thiazol-2-yl]piperazin-1-yl]methanone is sourced from PubChem (CID 53158576), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).