(4-aminopiperidin-1-yl)-[2,5-dimethyl-1-(1,3-thiazol-2-yl)pyrrol-3-yl]methanone;dihydrochloride

C15H22Cl2N4OS — CID 119375646

IUPAC(4-aminopiperidin-1-yl)-[2,5-dimethyl-1-(1,3-thiazol-2-yl)pyrrol-3-yl]methanone;dihydrochloride
SMILESCc1cc(C(=O)N2CCC(N)CC2)c(C)n1-c1nccs1.Cl.Cl
InChIInChI=1S/C15H20N4OS.2ClH/c1-10-9-13(11(2)19(10)15-17-5-8-21-15)14(20)18-6-3-12(16)4-7-18;;/h5,8-9,12H,3-4,6-7,16H2,1-2H3;2*1H
InChIKeyGKNQOGLAZXJUTO-UHFFFAOYSA-N
MW377.34 g/mol
LogP2.96
Rot. Bonds2

About (4-aminopiperidin-1-yl)-[2,5-dimethyl-1-(1,3-thiazol-2-yl)pyrrol-3-yl]methanone;dihydrochloride

(4-aminopiperidin-1-yl)-[2,5-dimethyl-1-(1,3-thiazol-2-yl)pyrrol-3-yl]methanone;dihydrochloride (PubChem CID 119375646) has the molecular formula C15H22Cl2N4OS and a molecular weight of 377.34 g/mol. Its IUPAC name is (4-aminopiperidin-1-yl)-[2,5-dimethyl-1-(1,3-thiazol-2-yl)pyrrol-3-yl]methanone;dihydrochloride.

Molecular Properties

Compound Name(4-aminopiperidin-1-yl)-[2,5-dimethyl-1-(1,3-thiazol-2-yl)pyrrol-3-yl]methanone;dihydrochloride
PubChem CID119375646
Molecular FormulaC15H22Cl2N4OS
Molecular Weight377.34 g/mol
Exact Mass376.09
IUPAC Name(4-aminopiperidin-1-yl)-[2,5-dimethyl-1-(1,3-thiazol-2-yl)pyrrol-3-yl]methanone;dihydrochloride
SMILESCc1cc(C(=O)N2CCC(N)CC2)c(C)n1-c1nccs1.Cl.Cl
InChIInChI=1S/C15H20N4OS.2ClH/c1-10-9-13(11(2)19(10)15-17-5-8-21-15)14(20)18-6-3-12(16)4-7-18;;/h5,8-9,12H,3-4,6-7,16H2,1-2H3;2*1H
InChIKeyGKNQOGLAZXJUTO-UHFFFAOYSA-N
XLogP2.96
TPSA64.15 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds2
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500377.34
LogP ≤ 52.96
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

(3-aminopiperidin-1-yl)-[2,5-dimethyl-1-(1,3-thiazol-2-yl)pyrrol-3-yl]methanone
CID 119380340
[2,5-dimethyl-1-(1,3-thiazol-2-yl)pyrrol-3-yl]-[4-(methylaminomethyl)piperidin-1-yl]methanone
CID 119545631
[3-(aminomethyl)pyrrolidin-1-yl]-[2,5-dimethyl-1-(1,3-thiazol-2-yl)pyrrol-3-yl]methanone
CID 119486018
[1-[2,5-dimethyl-1-(1,3-thiazol-2-yl)pyrrole-3-carbonyl]piperidin-4-yl]-morpholin-4-ylmethanone
CID 78881427
[2-(aminomethyl)pyrrolidin-1-yl]-[2,5-dimethyl-1-(1,3-thiazol-2-yl)pyrrol-3-yl]methanone;dihydrochloride
CID 119633469
[2,5-dimethyl-1-(1,3-thiazol-2-yl)pyrrol-3-yl]-(4-methylsulfonyl-1,4-diazepan-1-yl)methanone
CID 78864960
[2-(1-aminoethyl)piperidin-1-yl]-[2,5-dimethyl-1-(1,3-thiazol-2-yl)pyrrol-3-yl]methanone;dihydrochloride
CID 119436699
1-[2,5-dimethyl-1-(1,3-thiazol-2-yl)pyrrole-3-carbonyl]-N-(3-ethoxypropyl)piperidine-4-carboxamide
CID 78900547
[3-(aminomethyl)-3-methylpyrrolidin-1-yl]-[2,5-dimethyl-1-(1,3-thiazol-2-yl)pyrrol-3-yl]methanone
CID 120803731
N-(2-aminoethyl)-1-[2,5-dimethyl-1-(1,3-thiazol-2-yl)pyrrole-3-carbonyl]piperidine-3-carboxamide;dihydrochloride
CID 119481434
(2R)-1-[2,5-dimethyl-1-(1,3-thiazol-2-yl)pyrrole-3-carbonyl]piperidine-2-carboxylic acid
CID 99639870
4-[[4-[2,5-dimethyl-1-(1,3-thiazol-2-yl)pyrrole-3-carbonyl]piperazin-1-yl]methyl]benzamide
CID 112842393

Frequently Asked Questions

What is the IUPAC name of (4-aminopiperidin-1-yl)-[2,5-dimethyl-1-(1,3-thiazol-2-yl)pyrrol-3-yl]methanone;dihydrochloride?
The IUPAC name of (4-aminopiperidin-1-yl)-[2,5-dimethyl-1-(1,3-thiazol-2-yl)pyrrol-3-yl]methanone;dihydrochloride (CID 119375646) is (4-aminopiperidin-1-yl)-[2,5-dimethyl-1-(1,3-thiazol-2-yl)pyrrol-3-yl]methanone;dihydrochloride.
What is the SMILES notation for (4-aminopiperidin-1-yl)-[2,5-dimethyl-1-(1,3-thiazol-2-yl)pyrrol-3-yl]methanone;dihydrochloride?
The canonical SMILES for (4-aminopiperidin-1-yl)-[2,5-dimethyl-1-(1,3-thiazol-2-yl)pyrrol-3-yl]methanone;dihydrochloride is Cc1cc(C(=O)N2CCC(N)CC2)c(C)n1-c1nccs1.Cl.Cl.
What is the InChIKey of (4-aminopiperidin-1-yl)-[2,5-dimethyl-1-(1,3-thiazol-2-yl)pyrrol-3-yl]methanone;dihydrochloride?
The InChIKey is GKNQOGLAZXJUTO-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H20N4OS.2ClH/c1-10-9-13(11(2)19(10)15-17-5-8-21-15)14(20)18-6-3-12(16)4-7-18;;/h5,8-9,12H,3-4,6-7,16H2,1-2H3;2*1H.
What are the key properties of (4-aminopiperidin-1-yl)-[2,5-dimethyl-1-(1,3-thiazol-2-yl)pyrrol-3-yl]methanone;dihydrochloride?
(4-aminopiperidin-1-yl)-[2,5-dimethyl-1-(1,3-thiazol-2-yl)pyrrol-3-yl]methanone;dihydrochloride has a molecular weight of 377.34 g/mol, XLogP of 2.96, 2 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for (4-aminopiperidin-1-yl)-[2,5-dimethyl-1-(1,3-thiazol-2-yl)pyrrol-3-yl]methanone;dihydrochloride is sourced from PubChem (CID 119375646), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).