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

C17H28N4OS — CID 120569400

IUPAC(2,3-dimethylpiperazin-1-yl)-[1-[(2-methyl-1,3-thiazol-4-yl)methyl]piperidin-4-yl]methanone
SMILESCc1nc(CN2CCC(C(=O)N3CCNC(C)C3C)CC2)cs1
InChIInChI=1S/C17H28N4OS/c1-12-13(2)21(9-6-18-12)17(22)15-4-7-20(8-5-15)10-16-11-23-14(3)19-16/h11-13,15,18H,4-10H2,1-3H3
InChIKeyFMFHVWMJRCPHRP-UHFFFAOYSA-N
MW336.51 g/mol
LogP1.87
Rot. Bonds3

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

(2,3-dimethylpiperazin-1-yl)-[1-[(2-methyl-1,3-thiazol-4-yl)methyl]piperidin-4-yl]methanone (PubChem CID 120569400) has the molecular formula C17H28N4OS and a molecular weight of 336.51 g/mol. Its IUPAC name is (2,3-dimethylpiperazin-1-yl)-[1-[(2-methyl-1,3-thiazol-4-yl)methyl]piperidin-4-yl]methanone.

Molecular Properties

Compound Name(2,3-dimethylpiperazin-1-yl)-[1-[(2-methyl-1,3-thiazol-4-yl)methyl]piperidin-4-yl]methanone
PubChem CID120569400
Molecular FormulaC17H28N4OS
Molecular Weight336.51 g/mol
Exact Mass336.20
IUPAC Name(2,3-dimethylpiperazin-1-yl)-[1-[(2-methyl-1,3-thiazol-4-yl)methyl]piperidin-4-yl]methanone
SMILESCc1nc(CN2CCC(C(=O)N3CCNC(C)C3C)CC2)cs1
InChIInChI=1S/C17H28N4OS/c1-12-13(2)21(9-6-18-12)17(22)15-4-7-20(8-5-15)10-16-11-23-14(3)19-16/h11-13,15,18H,4-10H2,1-3H3
InChIKeyFMFHVWMJRCPHRP-UHFFFAOYSA-N
XLogP1.87
TPSA48.47 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500336.51
LogP ≤ 51.87
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

[(2R,3R)-2-methyl-3-morpholin-4-ylpyrrolidin-1-yl]-[1-[(2-methyl-1,3-thiazol-4-yl)methyl]piperidin-4-yl]methanone
CID 126813722
[2-(aminomethyl)pyrrolidin-1-yl]-[1-[(2-methyl-1,3-thiazol-4-yl)methyl]piperidin-4-yl]methanone
CID 119631993
1-(2,3-dimethylpiperazin-1-yl)-4-(2-methyl-1,3-thiazol-4-yl)butan-1-one
CID 120571813
[2-(methylaminomethyl)pyrrolidin-1-yl]-[1-[(2-methyl-1,3-thiazol-4-yl)methyl]piperidin-4-yl]methanone
CID 119649633
[4-[(2-methyl-1,3-thiazol-4-yl)methyl]piperazin-1-yl]-piperidin-4-ylmethanone
CID 60963485
ethyl 1-[(2-methyl-1,3-thiazol-4-yl)methyl]piperidine-4-carboxylate
CID 21202811
cyclohexyl-[4-[(2-methyl-1,3-thiazol-4-yl)methyl]piperazin-1-yl]methanone
CID 110714326
1-[(2-methyl-1,3-thiazol-4-yl)methyl]piperidin-4-ol
CID 60643680
N-cyclohexyl-4-[1-[(2-methyl-1,3-thiazol-4-yl)methyl]piperidine-4-carbonyl]piperazine-1-carboxamide
CID 56514845
[3-(methylamino)piperidin-1-yl]-[1-[(2-methyl-1,3-thiazol-4-yl)methyl]piperidin-4-yl]methanone
CID 119489323
[4-[(2-bromophenyl)methyl]piperazin-1-yl]-[1-[(2-methyl-1,3-thiazol-4-yl)methyl]piperidin-4-yl]methanone
CID 20754535
ethane;2-methyl-4-(pyrrolidin-1-ylmethyl)-1,3-thiazole
CID 143966374

Frequently Asked Questions

What is the IUPAC name of (2,3-dimethylpiperazin-1-yl)-[1-[(2-methyl-1,3-thiazol-4-yl)methyl]piperidin-4-yl]methanone?
The IUPAC name of (2,3-dimethylpiperazin-1-yl)-[1-[(2-methyl-1,3-thiazol-4-yl)methyl]piperidin-4-yl]methanone (CID 120569400) is (2,3-dimethylpiperazin-1-yl)-[1-[(2-methyl-1,3-thiazol-4-yl)methyl]piperidin-4-yl]methanone.
What is the SMILES notation for (2,3-dimethylpiperazin-1-yl)-[1-[(2-methyl-1,3-thiazol-4-yl)methyl]piperidin-4-yl]methanone?
The canonical SMILES for (2,3-dimethylpiperazin-1-yl)-[1-[(2-methyl-1,3-thiazol-4-yl)methyl]piperidin-4-yl]methanone is Cc1nc(CN2CCC(C(=O)N3CCNC(C)C3C)CC2)cs1.
What is the InChIKey of (2,3-dimethylpiperazin-1-yl)-[1-[(2-methyl-1,3-thiazol-4-yl)methyl]piperidin-4-yl]methanone?
The InChIKey is FMFHVWMJRCPHRP-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H28N4OS/c1-12-13(2)21(9-6-18-12)17(22)15-4-7-20(8-5-15)10-16-11-23-14(3)19-16/h11-13,15,18H,4-10H2,1-3H3.
What are the key properties of (2,3-dimethylpiperazin-1-yl)-[1-[(2-methyl-1,3-thiazol-4-yl)methyl]piperidin-4-yl]methanone?
(2,3-dimethylpiperazin-1-yl)-[1-[(2-methyl-1,3-thiazol-4-yl)methyl]piperidin-4-yl]methanone has a molecular weight of 336.51 g/mol, XLogP of 1.87, 3 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for (2,3-dimethylpiperazin-1-yl)-[1-[(2-methyl-1,3-thiazol-4-yl)methyl]piperidin-4-yl]methanone is sourced from PubChem (CID 120569400), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).