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

C19H31N5OS — CID 56863070

IUPAC(4-methylpiperazin-1-yl)-[1-[1-(1,3-thiazol-2-yl)piperidin-4-yl]piperidin-3-yl]methanone
SMILESCN1CCN(C(=O)C2CCCN(C3CCN(c4nccs4)CC3)C2)CC1
InChIInChI=1S/C19H31N5OS/c1-21-10-12-22(13-11-21)18(25)16-3-2-7-24(15-16)17-4-8-23(9-5-17)19-20-6-14-26-19/h6,14,16-17H,2-5,7-13,15H2,1H3
InChIKeyJYJNOGRMWLLNAO-UHFFFAOYSA-N
MW377.56 g/mol
LogP1.60
Rot. Bonds3

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

(4-methylpiperazin-1-yl)-[1-[1-(1,3-thiazol-2-yl)piperidin-4-yl]piperidin-3-yl]methanone (PubChem CID 56863070) has the molecular formula C19H31N5OS and a molecular weight of 377.56 g/mol. Its IUPAC name is (4-methylpiperazin-1-yl)-[1-[1-(1,3-thiazol-2-yl)piperidin-4-yl]piperidin-3-yl]methanone.

Molecular Properties

Compound Name(4-methylpiperazin-1-yl)-[1-[1-(1,3-thiazol-2-yl)piperidin-4-yl]piperidin-3-yl]methanone
PubChem CID56863070
Molecular FormulaC19H31N5OS
Molecular Weight377.56 g/mol
Exact Mass377.22
IUPAC Name(4-methylpiperazin-1-yl)-[1-[1-(1,3-thiazol-2-yl)piperidin-4-yl]piperidin-3-yl]methanone
SMILESCN1CCN(C(=O)C2CCCN(C3CCN(c4nccs4)CC3)C2)CC1
InChIInChI=1S/C19H31N5OS/c1-21-10-12-22(13-11-21)18(25)16-3-2-7-24(15-16)17-4-8-23(9-5-17)19-20-6-14-26-19/h6,14,16-17H,2-5,7-13,15H2,1H3
InChIKeyJYJNOGRMWLLNAO-UHFFFAOYSA-N
XLogP1.60
TPSA42.92 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds3
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500377.56
LogP ≤ 51.60
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

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

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Related Compounds

(3S)-N,N-dimethyl-3-[4-(1,3-thiazol-2-yl)piperazine-1-carbonyl]piperidine-1-carboxamide
CID 94162861
cyclopropyl-[4-(1,3-thiazol-2-yl)piperazin-1-yl]methanone
CID 53498835
2-(4-piperidin-1-ylpiperidin-1-yl)-1,3-thiazole
CID 172900709
1-[4-[3-(4-methylpiperazine-1-carbonyl)piperidin-1-yl]piperidin-1-yl]ethanone
CID 56879136
2-methoxy-1-[3-[4-(1,3-thiazol-2-yl)piperazine-1-carbonyl]piperidin-1-yl]ethanone
CID 72930668
pyrrolidin-1-yl-[(3R)-1-(1-thieno[3,2-d]pyrimidin-4-ylpiperidin-4-yl)piperidin-3-yl]methanone
CID 95558166
(6-methyl-1,3-dihydropyrrolo[3,4-c]pyridin-2-yl)-[1-(1-methylpiperidin-4-yl)piperidin-3-yl]methanone
CID 118784185
[(3R,4S)-4-hydroxy-1-methylpiperidin-3-yl]-[4-(1,3-thiazol-2-yl)piperazin-1-yl]methanone
CID 163311834
2-amino-1-[4-[(3S)-3-(4-methylpiperazine-1-carbonyl)piperidin-1-yl]piperidin-1-yl]ethanone
CID 95557941
2-hydroxy-1-[4-[(3R)-3-(4-methylpiperazine-1-carbonyl)piperidin-1-yl]piperidin-1-yl]ethanone
CID 95229160
2-[4-[(3S)-3-(pyrrolidine-1-carbonyl)piperidin-1-yl]piperidin-1-yl]-1,3-thiazole-4-carboxamide
CID 95557966
[1-(5-methylthiophen-2-yl)sulfonylpiperidin-3-yl]-[4-(1,3-thiazol-2-yl)piperazin-1-yl]methanone
CID 134050436

Frequently Asked Questions

What is the IUPAC name of (4-methylpiperazin-1-yl)-[1-[1-(1,3-thiazol-2-yl)piperidin-4-yl]piperidin-3-yl]methanone?
The IUPAC name of (4-methylpiperazin-1-yl)-[1-[1-(1,3-thiazol-2-yl)piperidin-4-yl]piperidin-3-yl]methanone (CID 56863070) is (4-methylpiperazin-1-yl)-[1-[1-(1,3-thiazol-2-yl)piperidin-4-yl]piperidin-3-yl]methanone.
What is the SMILES notation for (4-methylpiperazin-1-yl)-[1-[1-(1,3-thiazol-2-yl)piperidin-4-yl]piperidin-3-yl]methanone?
The canonical SMILES for (4-methylpiperazin-1-yl)-[1-[1-(1,3-thiazol-2-yl)piperidin-4-yl]piperidin-3-yl]methanone is CN1CCN(C(=O)C2CCCN(C3CCN(c4nccs4)CC3)C2)CC1.
What is the InChIKey of (4-methylpiperazin-1-yl)-[1-[1-(1,3-thiazol-2-yl)piperidin-4-yl]piperidin-3-yl]methanone?
The InChIKey is JYJNOGRMWLLNAO-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H31N5OS/c1-21-10-12-22(13-11-21)18(25)16-3-2-7-24(15-16)17-4-8-23(9-5-17)19-20-6-14-26-19/h6,14,16-17H,2-5,7-13,15H2,1H3.
What are the key properties of (4-methylpiperazin-1-yl)-[1-[1-(1,3-thiazol-2-yl)piperidin-4-yl]piperidin-3-yl]methanone?
(4-methylpiperazin-1-yl)-[1-[1-(1,3-thiazol-2-yl)piperidin-4-yl]piperidin-3-yl]methanone has a molecular weight of 377.56 g/mol, XLogP of 1.60, 3 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for (4-methylpiperazin-1-yl)-[1-[1-(1,3-thiazol-2-yl)piperidin-4-yl]piperidin-3-yl]methanone is sourced from PubChem (CID 56863070), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).