4-(methoxymethyl)-N-[(2-methyl-1,3-thiazol-5-yl)methyl]piperidine-4-carboxamide;dihydrochloride

C13H23Cl2N3O2S — CID 120645205

IUPAC4-(methoxymethyl)-N-[(2-methyl-1,3-thiazol-5-yl)methyl]piperidine-4-carboxamide;dihydrochloride
SMILESCOCC1(C(=O)NCc2cnc(C)s2)CCNCC1.Cl.Cl
InChIInChI=1S/C13H21N3O2S.2ClH/c1-10-15-7-11(19-10)8-16-12(17)13(9-18-2)3-5-14-6-4-13;;/h7,14H,3-6,8-9H2,1-2H3,(H,16,17);2*1H
InChIKeyQITQQTWMEDZEIE-UHFFFAOYSA-N
MW356.32 g/mol
LogP1.93
Rot. Bonds5

About 4-(methoxymethyl)-N-[(2-methyl-1,3-thiazol-5-yl)methyl]piperidine-4-carboxamide;dihydrochloride

4-(methoxymethyl)-N-[(2-methyl-1,3-thiazol-5-yl)methyl]piperidine-4-carboxamide;dihydrochloride (PubChem CID 120645205) has the molecular formula C13H23Cl2N3O2S and a molecular weight of 356.32 g/mol. Its IUPAC name is 4-(methoxymethyl)-N-[(2-methyl-1,3-thiazol-5-yl)methyl]piperidine-4-carboxamide;dihydrochloride.

Molecular Properties

Compound Name4-(methoxymethyl)-N-[(2-methyl-1,3-thiazol-5-yl)methyl]piperidine-4-carboxamide;dihydrochloride
PubChem CID120645205
Molecular FormulaC13H23Cl2N3O2S
Molecular Weight356.32 g/mol
Exact Mass355.09
IUPAC Name4-(methoxymethyl)-N-[(2-methyl-1,3-thiazol-5-yl)methyl]piperidine-4-carboxamide;dihydrochloride
SMILESCOCC1(C(=O)NCc2cnc(C)s2)CCNCC1.Cl.Cl
InChIInChI=1S/C13H21N3O2S.2ClH/c1-10-15-7-11(19-10)8-16-12(17)13(9-18-2)3-5-14-6-4-13;;/h7,14H,3-6,8-9H2,1-2H3,(H,16,17);2*1H
InChIKeyQITQQTWMEDZEIE-UHFFFAOYSA-N
XLogP1.93
TPSA63.25 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500356.32
LogP ≤ 51.93
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Related Compounds

4-methoxy-N-[(2-methyl-1,3-thiazol-5-yl)methyl]piperidine-4-carboxamide
CID 119861868
N-[(2-methyl-1,3-thiazol-5-yl)methyl]-3-propylpyrrolidine-3-carboxamide
CID 63141539
3-methyl-N-[(2-methyl-1,3-thiazol-5-yl)methyl]pyrrolidine-3-carboxamide;dihydrochloride
CID 119861848
N-[(5-bromothiophen-2-yl)methyl]-4-(methoxymethyl)piperidine-4-carboxamide;hydrochloride
CID 120623208
4-(methoxymethyl)-N-(thiophen-2-ylmethyl)piperidine-4-carboxamide;hydrochloride
CID 120617087
4-(methoxymethyl)-N-(pyridin-2-ylmethyl)piperidine-4-carboxamide;dihydrochloride
CID 120615837
4-(methoxymethyl)-N-[[4-(methoxymethyl)phenyl]methyl]piperidine-4-carboxamide;hydrochloride
CID 120621722
N-benzyl-4-(methoxymethyl)piperidine-4-carboxamide;hydrochloride
CID 120616012
N-ethyl-4-(methoxymethyl)piperidine-4-carboxamide;hydrochloride
CID 120616337
4-(methoxymethyl)-N-[(2-methylphenyl)methyl]piperidine-4-carboxamide;hydrochloride
CID 120618108
N-(furan-2-ylmethyl)-4-(methoxymethyl)piperidine-4-carboxamide;hydrochloride
CID 120647952
4-(methoxymethyl)-N-[2-(2-methyl-1,3-thiazol-4-yl)ethyl]piperidine-4-carboxamide;dihydrochloride
CID 120641072

Frequently Asked Questions

What is the IUPAC name of 4-(methoxymethyl)-N-[(2-methyl-1,3-thiazol-5-yl)methyl]piperidine-4-carboxamide;dihydrochloride?
The IUPAC name of 4-(methoxymethyl)-N-[(2-methyl-1,3-thiazol-5-yl)methyl]piperidine-4-carboxamide;dihydrochloride (CID 120645205) is 4-(methoxymethyl)-N-[(2-methyl-1,3-thiazol-5-yl)methyl]piperidine-4-carboxamide;dihydrochloride.
What is the SMILES notation for 4-(methoxymethyl)-N-[(2-methyl-1,3-thiazol-5-yl)methyl]piperidine-4-carboxamide;dihydrochloride?
The canonical SMILES for 4-(methoxymethyl)-N-[(2-methyl-1,3-thiazol-5-yl)methyl]piperidine-4-carboxamide;dihydrochloride is COCC1(C(=O)NCc2cnc(C)s2)CCNCC1.Cl.Cl.
What is the InChIKey of 4-(methoxymethyl)-N-[(2-methyl-1,3-thiazol-5-yl)methyl]piperidine-4-carboxamide;dihydrochloride?
The InChIKey is QITQQTWMEDZEIE-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H21N3O2S.2ClH/c1-10-15-7-11(19-10)8-16-12(17)13(9-18-2)3-5-14-6-4-13;;/h7,14H,3-6,8-9H2,1-2H3,(H,16,17);2*1H.
What are the key properties of 4-(methoxymethyl)-N-[(2-methyl-1,3-thiazol-5-yl)methyl]piperidine-4-carboxamide;dihydrochloride?
4-(methoxymethyl)-N-[(2-methyl-1,3-thiazol-5-yl)methyl]piperidine-4-carboxamide;dihydrochloride has a molecular weight of 356.32 g/mol, XLogP of 1.93, 5 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(methoxymethyl)-N-[(2-methyl-1,3-thiazol-5-yl)methyl]piperidine-4-carboxamide;dihydrochloride is sourced from PubChem (CID 120645205), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).