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

C17H28N4OS — CID 119649633

IUPAC[2-(methylaminomethyl)pyrrolidin-1-yl]-[1-[(2-methyl-1,3-thiazol-4-yl)methyl]piperidin-4-yl]methanone
SMILESCNCC1CCCN1C(=O)C1CCN(Cc2csc(C)n2)CC1
InChIInChI=1S/C17H28N4OS/c1-13-19-15(12-23-13)11-20-8-5-14(6-9-20)17(22)21-7-3-4-16(21)10-18-2/h12,14,16,18H,3-11H2,1-2H3
InChIKeySOAXLGATSLWSHQ-UHFFFAOYSA-N
MW336.51 g/mol
LogP1.87
Rot. Bonds5

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

[2-(methylaminomethyl)pyrrolidin-1-yl]-[1-[(2-methyl-1,3-thiazol-4-yl)methyl]piperidin-4-yl]methanone (PubChem CID 119649633) has the molecular formula C17H28N4OS and a molecular weight of 336.51 g/mol. Its IUPAC name is [2-(methylaminomethyl)pyrrolidin-1-yl]-[1-[(2-methyl-1,3-thiazol-4-yl)methyl]piperidin-4-yl]methanone.

Molecular Properties

Compound Name[2-(methylaminomethyl)pyrrolidin-1-yl]-[1-[(2-methyl-1,3-thiazol-4-yl)methyl]piperidin-4-yl]methanone
PubChem CID119649633
Molecular FormulaC17H28N4OS
Molecular Weight336.51 g/mol
Exact Mass336.20
IUPAC Name[2-(methylaminomethyl)pyrrolidin-1-yl]-[1-[(2-methyl-1,3-thiazol-4-yl)methyl]piperidin-4-yl]methanone
SMILESCNCC1CCCN1C(=O)C1CCN(Cc2csc(C)n2)CC1
InChIInChI=1S/C17H28N4OS/c1-13-19-15(12-23-13)11-20-8-5-14(6-9-20)17(22)21-7-3-4-16(21)10-18-2/h12,14,16,18H,3-11H2,1-2H3
InChIKeySOAXLGATSLWSHQ-UHFFFAOYSA-N
XLogP1.87
TPSA48.47 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds5
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

Analyze [2-(methylaminomethyl)pyrrolidin-1-yl]-[1-[(2-methyl-1,3-thiazol-4-yl)methyl]piperidin-4-yl]methanone 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

[2-(aminomethyl)pyrrolidin-1-yl]-[1-[(2-methyl-1,3-thiazol-4-yl)methyl]piperidin-4-yl]methanone
CID 119631993
[3-(methylamino)piperidin-1-yl]-[1-[(2-methyl-1,3-thiazol-4-yl)methyl]piperidin-4-yl]methanone
CID 119489323
N-methyl-1-[1-[(2-methyl-1,3-thiazol-4-yl)methyl]piperidin-4-yl]methanamine
CID 63250806
(2,3-dimethylpiperazin-1-yl)-[1-[(2-methyl-1,3-thiazol-4-yl)methyl]piperidin-4-yl]methanone
CID 120569400
cyclohexyl-[4-[(2-methyl-1,3-thiazol-4-yl)methyl]piperazin-1-yl]methanone
CID 110714326
N-cyclohexyl-4-[1-[(2-methyl-1,3-thiazol-4-yl)methyl]piperidine-4-carbonyl]piperazine-1-carboxamide
CID 56514845
ethyl 1-[(2-methyl-1,3-thiazol-4-yl)methyl]piperidine-4-carboxylate
CID 21202811
[(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
[(3S)-1-[1-[(2-methyl-1,3-thiazol-4-yl)methyl]piperidin-4-yl]piperidin-3-yl]-pyrrolidin-1-ylmethanone
CID 95463607
1-[(2-methyl-1,3-thiazol-4-yl)methyl]piperidin-4-ol
CID 60643680
ethane;2-methyl-4-(pyrrolidin-1-ylmethyl)-1,3-thiazole
CID 143966374
[4-[(2-methyl-1,3-thiazol-4-yl)methyl]piperazin-1-yl]-piperidin-4-ylmethanone
CID 60963485

Frequently Asked Questions

What is the IUPAC name of [2-(methylaminomethyl)pyrrolidin-1-yl]-[1-[(2-methyl-1,3-thiazol-4-yl)methyl]piperidin-4-yl]methanone?
The IUPAC name of [2-(methylaminomethyl)pyrrolidin-1-yl]-[1-[(2-methyl-1,3-thiazol-4-yl)methyl]piperidin-4-yl]methanone (CID 119649633) is [2-(methylaminomethyl)pyrrolidin-1-yl]-[1-[(2-methyl-1,3-thiazol-4-yl)methyl]piperidin-4-yl]methanone.
What is the SMILES notation for [2-(methylaminomethyl)pyrrolidin-1-yl]-[1-[(2-methyl-1,3-thiazol-4-yl)methyl]piperidin-4-yl]methanone?
The canonical SMILES for [2-(methylaminomethyl)pyrrolidin-1-yl]-[1-[(2-methyl-1,3-thiazol-4-yl)methyl]piperidin-4-yl]methanone is CNCC1CCCN1C(=O)C1CCN(Cc2csc(C)n2)CC1.
What is the InChIKey of [2-(methylaminomethyl)pyrrolidin-1-yl]-[1-[(2-methyl-1,3-thiazol-4-yl)methyl]piperidin-4-yl]methanone?
The InChIKey is SOAXLGATSLWSHQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H28N4OS/c1-13-19-15(12-23-13)11-20-8-5-14(6-9-20)17(22)21-7-3-4-16(21)10-18-2/h12,14,16,18H,3-11H2,1-2H3.
What are the key properties of [2-(methylaminomethyl)pyrrolidin-1-yl]-[1-[(2-methyl-1,3-thiazol-4-yl)methyl]piperidin-4-yl]methanone?
[2-(methylaminomethyl)pyrrolidin-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, 5 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for [2-(methylaminomethyl)pyrrolidin-1-yl]-[1-[(2-methyl-1,3-thiazol-4-yl)methyl]piperidin-4-yl]methanone is sourced from PubChem (CID 119649633), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).