(4-pyrazol-1-ylpiperidin-4-yl)-[2-(1,3-thiazol-2-yl)morpholin-4-yl]methanone;dihydrochloride

C16H23Cl2N5O2S — CID 120940874

IUPAC(4-pyrazol-1-ylpiperidin-4-yl)-[2-(1,3-thiazol-2-yl)morpholin-4-yl]methanone;dihydrochloride
SMILESCl.Cl.O=C(N1CCOC(c2nccs2)C1)C1(n2cccn2)CCNCC1
InChIInChI=1S/C16H21N5O2S.2ClH/c22-15(16(2-5-17-6-3-16)21-8-1-4-19-21)20-9-10-23-13(12-20)14-18-7-11-24-14;;/h1,4,7-8,11,13,17H,2-3,5-6,9-10,12H2;2*1H
InChIKeyGCEJPFPTUHQYBK-UHFFFAOYSA-N
MW420.37 g/mol
LogP1.86
Rot. Bonds3

About (4-pyrazol-1-ylpiperidin-4-yl)-[2-(1,3-thiazol-2-yl)morpholin-4-yl]methanone;dihydrochloride

(4-pyrazol-1-ylpiperidin-4-yl)-[2-(1,3-thiazol-2-yl)morpholin-4-yl]methanone;dihydrochloride (PubChem CID 120940874) has the molecular formula C16H23Cl2N5O2S and a molecular weight of 420.37 g/mol. Its IUPAC name is (4-pyrazol-1-ylpiperidin-4-yl)-[2-(1,3-thiazol-2-yl)morpholin-4-yl]methanone;dihydrochloride.

Molecular Properties

Compound Name(4-pyrazol-1-ylpiperidin-4-yl)-[2-(1,3-thiazol-2-yl)morpholin-4-yl]methanone;dihydrochloride
PubChem CID120940874
Molecular FormulaC16H23Cl2N5O2S
Molecular Weight420.37 g/mol
Exact Mass419.09
IUPAC Name(4-pyrazol-1-ylpiperidin-4-yl)-[2-(1,3-thiazol-2-yl)morpholin-4-yl]methanone;dihydrochloride
SMILESCl.Cl.O=C(N1CCOC(c2nccs2)C1)C1(n2cccn2)CCNCC1
InChIInChI=1S/C16H21N5O2S.2ClH/c22-15(16(2-5-17-6-3-16)21-8-1-4-19-21)20-9-10-23-13(12-20)14-18-7-11-24-14;;/h1,4,7-8,11,13,17H,2-3,5-6,9-10,12H2;2*1H
InChIKeyGCEJPFPTUHQYBK-UHFFFAOYSA-N
XLogP1.86
TPSA72.28 Ų
H-Bond Donors1
H-Bond Acceptors7
Rotatable Bonds3
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500420.37
LogP ≤ 51.86
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 107

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Related Compounds

morpholin-4-yl-(4-pyrazol-1-ylpiperidin-4-yl)methanone;hydrochloride
CID 120917128
[2-(methoxymethyl)morpholin-4-yl]-(4-pyrazol-1-ylpiperidin-4-yl)methanone;hydrochloride
CID 120933760
N-methyl-2-(1,3-thiazol-2-yl)morpholine-4-carboxamide
CID 127308401
(2-ethylthiomorpholin-4-yl)-(4-pyrazol-1-ylpiperidin-4-yl)methanone
CID 120933581
[3-(dimethylamino)piperidin-1-yl]-(4-pyrazol-1-ylpiperidin-4-yl)methanone;dihydrochloride
CID 120940910
(4-pyrazol-1-ylpiperidin-4-yl)-[3-(trifluoromethyl)piperidin-1-yl]methanone;hydrochloride
CID 120918557
8-oxa-2-azaspiro[4.5]decan-2-yl-(4-pyrazol-1-ylpiperidin-4-yl)methanone;hydrochloride
CID 120936794
[3-(diethylamino)pyrrolidin-1-yl]-(4-pyrazol-1-ylpiperidin-4-yl)methanone;dihydrochloride
CID 120938728
(3-methyl-4-morpholin-4-ylpyrrolidin-1-yl)-(4-pyrazol-1-ylpiperidin-4-yl)methanone;dihydrochloride
CID 120942755
(4-pyrazol-1-ylpiperidin-4-yl)-[3-(trifluoromethyl)piperidin-1-yl]methanone
CID 120918558
[4-(2-fluorophenyl)piperazin-1-yl]-(4-pyrazol-1-ylpiperidin-4-yl)methanone;dihydrochloride
CID 120937676
[4-(morpholin-4-ylmethyl)piperidin-1-yl]-(4-pyrazol-1-ylpiperidin-4-yl)methanone;dihydrochloride
CID 120939296

Frequently Asked Questions

What is the IUPAC name of (4-pyrazol-1-ylpiperidin-4-yl)-[2-(1,3-thiazol-2-yl)morpholin-4-yl]methanone;dihydrochloride?
The IUPAC name of (4-pyrazol-1-ylpiperidin-4-yl)-[2-(1,3-thiazol-2-yl)morpholin-4-yl]methanone;dihydrochloride (CID 120940874) is (4-pyrazol-1-ylpiperidin-4-yl)-[2-(1,3-thiazol-2-yl)morpholin-4-yl]methanone;dihydrochloride.
What is the SMILES notation for (4-pyrazol-1-ylpiperidin-4-yl)-[2-(1,3-thiazol-2-yl)morpholin-4-yl]methanone;dihydrochloride?
The canonical SMILES for (4-pyrazol-1-ylpiperidin-4-yl)-[2-(1,3-thiazol-2-yl)morpholin-4-yl]methanone;dihydrochloride is Cl.Cl.O=C(N1CCOC(c2nccs2)C1)C1(n2cccn2)CCNCC1.
What is the InChIKey of (4-pyrazol-1-ylpiperidin-4-yl)-[2-(1,3-thiazol-2-yl)morpholin-4-yl]methanone;dihydrochloride?
The InChIKey is GCEJPFPTUHQYBK-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H21N5O2S.2ClH/c22-15(16(2-5-17-6-3-16)21-8-1-4-19-21)20-9-10-23-13(12-20)14-18-7-11-24-14;;/h1,4,7-8,11,13,17H,2-3,5-6,9-10,12H2;2*1H.
What are the key properties of (4-pyrazol-1-ylpiperidin-4-yl)-[2-(1,3-thiazol-2-yl)morpholin-4-yl]methanone;dihydrochloride?
(4-pyrazol-1-ylpiperidin-4-yl)-[2-(1,3-thiazol-2-yl)morpholin-4-yl]methanone;dihydrochloride has a molecular weight of 420.37 g/mol, XLogP of 1.86, 3 rotatable bonds, 1 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for (4-pyrazol-1-ylpiperidin-4-yl)-[2-(1,3-thiazol-2-yl)morpholin-4-yl]methanone;dihydrochloride is sourced from PubChem (CID 120940874), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).