(4-methylpiperazin-1-yl)-[4-(1,3-thiazol-2-yl)piperidin-1-yl]methanone

C14H22N4OS — CID 143718408

IUPAC(4-methylpiperazin-1-yl)-[4-(1,3-thiazol-2-yl)piperidin-1-yl]methanone
SMILESCN1CCN(C(=O)N2CCC(c3nccs3)CC2)CC1
InChIInChI=1S/C14H22N4OS/c1-16-7-9-18(10-8-16)14(19)17-5-2-12(3-6-17)13-15-4-11-20-13/h4,11-12H,2-3,5-10H2,1H3
InChIKeyXZIQRAXMOTTZML-UHFFFAOYSA-N
MW294.42 g/mol
LogP1.69
Rot. Bonds1

About (4-methylpiperazin-1-yl)-[4-(1,3-thiazol-2-yl)piperidin-1-yl]methanone

(4-methylpiperazin-1-yl)-[4-(1,3-thiazol-2-yl)piperidin-1-yl]methanone (PubChem CID 143718408) has the molecular formula C14H22N4OS and a molecular weight of 294.42 g/mol. Its IUPAC name is (4-methylpiperazin-1-yl)-[4-(1,3-thiazol-2-yl)piperidin-1-yl]methanone.

Molecular Properties

Compound Name(4-methylpiperazin-1-yl)-[4-(1,3-thiazol-2-yl)piperidin-1-yl]methanone
PubChem CID143718408
Molecular FormulaC14H22N4OS
Molecular Weight294.42 g/mol
Exact Mass294.15
IUPAC Name(4-methylpiperazin-1-yl)-[4-(1,3-thiazol-2-yl)piperidin-1-yl]methanone
SMILESCN1CCN(C(=O)N2CCC(c3nccs3)CC2)CC1
InChIInChI=1S/C14H22N4OS/c1-16-7-9-18(10-8-16)14(19)17-5-2-12(3-6-17)13-15-4-11-20-13/h4,11-12H,2-3,5-10H2,1H3
InChIKeyXZIQRAXMOTTZML-UHFFFAOYSA-N
XLogP1.69
TPSA39.68 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds1
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500294.42
LogP ≤ 51.69
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Related Compounds

1-[4-(1,3-thiazol-2-yl)piperidin-1-yl]propan-1-one
CID 71692446
cyclopropyl-[4-(1,3-thiazol-2-yl)piperidin-1-yl]methanone;hydrochloride
CID 71692447
(2R)-2-amino-1-[4-(1,3-thiazol-2-yl)piperidin-1-yl]propan-1-one
CID 119873347
2-[1-(trideuteriomethyl)piperidin-4-yl]-1,3-thiazole
CID 170533293
[4-(1,3-thiazol-2-yl)piperidin-1-yl]-thiophen-2-ylmethanone
CID 110289749
N-[(2S)-1-ethylsulfonylpropan-2-yl]-4-(1,3-thiazol-2-yl)piperidine-1-carboxamide
CID 124885278
(3,5-dimethoxyphenyl)-[4-(1,3-thiazol-2-yl)piperidin-1-yl]methanone
CID 110289762
(2S)-2,4-dimethyl-1-[4-(1,3-thiazol-2-yl)piperidin-1-yl]pent-4-en-1-one
CID 124728518
(E)-2-methyl-3-phenyl-1-[4-(1,3-thiazol-2-yl)piperidin-1-yl]prop-2-en-1-one
CID 110308213
3-methyl-3-phenyl-1-[4-(1,3-thiazol-2-yl)piperidin-1-yl]butan-1-one
CID 110308176
[4-(1,3-thiazol-2-yl)piperidin-1-yl]-(2,3,4-trifluorophenyl)methanone
CID 110289798
2-(1-methanidylpiperidin-4-yl)-1,3-thiazole;tungsten
CID 59496771

Frequently Asked Questions

What is the IUPAC name of (4-methylpiperazin-1-yl)-[4-(1,3-thiazol-2-yl)piperidin-1-yl]methanone?
The IUPAC name of (4-methylpiperazin-1-yl)-[4-(1,3-thiazol-2-yl)piperidin-1-yl]methanone (CID 143718408) is (4-methylpiperazin-1-yl)-[4-(1,3-thiazol-2-yl)piperidin-1-yl]methanone.
What is the SMILES notation for (4-methylpiperazin-1-yl)-[4-(1,3-thiazol-2-yl)piperidin-1-yl]methanone?
The canonical SMILES for (4-methylpiperazin-1-yl)-[4-(1,3-thiazol-2-yl)piperidin-1-yl]methanone is CN1CCN(C(=O)N2CCC(c3nccs3)CC2)CC1.
What is the InChIKey of (4-methylpiperazin-1-yl)-[4-(1,3-thiazol-2-yl)piperidin-1-yl]methanone?
The InChIKey is XZIQRAXMOTTZML-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H22N4OS/c1-16-7-9-18(10-8-16)14(19)17-5-2-12(3-6-17)13-15-4-11-20-13/h4,11-12H,2-3,5-10H2,1H3.
What are the key properties of (4-methylpiperazin-1-yl)-[4-(1,3-thiazol-2-yl)piperidin-1-yl]methanone?
(4-methylpiperazin-1-yl)-[4-(1,3-thiazol-2-yl)piperidin-1-yl]methanone has a molecular weight of 294.42 g/mol, XLogP of 1.69, 1 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (4-methylpiperazin-1-yl)-[4-(1,3-thiazol-2-yl)piperidin-1-yl]methanone is sourced from PubChem (CID 143718408), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).