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

C17H30Cl2N4O2S — CID 120639846

IUPAC4-(methoxymethyl)-N-[4-(piperidin-1-ylmethyl)-1,3-thiazol-2-yl]piperidine-4-carboxamide;dihydrochloride
SMILESCOCC1(C(=O)Nc2nc(CN3CCCCC3)cs2)CCNCC1.Cl.Cl
InChIInChI=1S/C17H28N4O2S.2ClH/c1-23-13-17(5-7-18-8-6-17)15(22)20-16-19-14(12-24-16)11-21-9-3-2-4-10-21;;/h12,18H,2-11,13H2,1H3,(H,19,20,22);2*1H
InChIKeyQYSHKHCYHOGVAU-UHFFFAOYSA-N
MW425.43 g/mol
LogP2.93
Rot. Bonds6

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

4-(methoxymethyl)-N-[4-(piperidin-1-ylmethyl)-1,3-thiazol-2-yl]piperidine-4-carboxamide;dihydrochloride (PubChem CID 120639846) has the molecular formula C17H30Cl2N4O2S and a molecular weight of 425.43 g/mol. Its IUPAC name is 4-(methoxymethyl)-N-[4-(piperidin-1-ylmethyl)-1,3-thiazol-2-yl]piperidine-4-carboxamide;dihydrochloride.

Molecular Properties

Compound Name4-(methoxymethyl)-N-[4-(piperidin-1-ylmethyl)-1,3-thiazol-2-yl]piperidine-4-carboxamide;dihydrochloride
PubChem CID120639846
Molecular FormulaC17H30Cl2N4O2S
Molecular Weight425.43 g/mol
Exact Mass424.15
IUPAC Name4-(methoxymethyl)-N-[4-(piperidin-1-ylmethyl)-1,3-thiazol-2-yl]piperidine-4-carboxamide;dihydrochloride
SMILESCOCC1(C(=O)Nc2nc(CN3CCCCC3)cs2)CCNCC1.Cl.Cl
InChIInChI=1S/C17H28N4O2S.2ClH/c1-23-13-17(5-7-18-8-6-17)15(22)20-16-19-14(12-24-16)11-21-9-3-2-4-10-21;;/h12,18H,2-11,13H2,1H3,(H,19,20,22);2*1H
InChIKeyQYSHKHCYHOGVAU-UHFFFAOYSA-N
XLogP2.93
TPSA66.49 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds6
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500425.43
LogP ≤ 52.93
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

Analyze 4-(methoxymethyl)-N-[4-(piperidin-1-ylmethyl)-1,3-thiazol-2-yl]piperidine-4-carboxamide;dihydrochloride with MolForge

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Related Compounds

4-(methoxymethyl)-N-[4-(morpholin-4-ylmethyl)-1,3-thiazol-2-yl]piperidine-4-carboxamide;dihydrochloride
CID 120639856
1-amino-N-[4-(piperidin-1-ylmethyl)-1,3-thiazol-2-yl]cyclohexane-1-carboxamide
CID 120606542
N-(4-cyclopropyl-1,3-thiazol-2-yl)-4-(methoxymethyl)piperidine-4-carboxamide;hydrochloride
CID 120623224
N-[4-(piperidin-1-ylmethyl)-1,3-thiazol-2-yl]adamantane-1-carboxamide
CID 30182797
N-[4-(azepan-1-ylmethyl)-1,3-thiazol-2-yl]-2-[(2-methylpropan-2-yl)oxy]acetamide
CID 75498849
N-[[2-(azepan-1-ylmethyl)phenyl]methyl]-4-(methoxymethyl)piperidine-4-carboxamide;dihydrochloride
CID 120645726
[4-[(2-ethyl-1,3-thiazol-4-yl)methyl]piperazin-1-yl]-[4-(methoxymethyl)piperidin-4-yl]methanone
CID 120645379
4-methoxy-N-[4-(piperidin-1-ylmethyl)-1,3-thiazol-2-yl]benzamide
CID 30182781
4-(methoxymethyl)-N-(1,3-thiazol-2-yl)piperidine-4-carboxamide
CID 114041967
[4-[(2-tert-butyl-1,3-thiazol-4-yl)methyl]piperazin-1-yl]-[4-(methoxymethyl)piperidin-4-yl]methanone
CID 120644279
(2R)-2-amino-N-[4-(piperidin-1-ylmethyl)-1,3-thiazol-2-yl]propanamide
CID 119830474
N-[4-(3,4-dimethoxyphenyl)-1,3-thiazol-2-yl]-4-(methoxymethyl)piperidine-4-carboxamide;hydrochloride
CID 120616823

Frequently Asked Questions

What is the IUPAC name of 4-(methoxymethyl)-N-[4-(piperidin-1-ylmethyl)-1,3-thiazol-2-yl]piperidine-4-carboxamide;dihydrochloride?
The IUPAC name of 4-(methoxymethyl)-N-[4-(piperidin-1-ylmethyl)-1,3-thiazol-2-yl]piperidine-4-carboxamide;dihydrochloride (CID 120639846) is 4-(methoxymethyl)-N-[4-(piperidin-1-ylmethyl)-1,3-thiazol-2-yl]piperidine-4-carboxamide;dihydrochloride.
What is the SMILES notation for 4-(methoxymethyl)-N-[4-(piperidin-1-ylmethyl)-1,3-thiazol-2-yl]piperidine-4-carboxamide;dihydrochloride?
The canonical SMILES for 4-(methoxymethyl)-N-[4-(piperidin-1-ylmethyl)-1,3-thiazol-2-yl]piperidine-4-carboxamide;dihydrochloride is COCC1(C(=O)Nc2nc(CN3CCCCC3)cs2)CCNCC1.Cl.Cl.
What is the InChIKey of 4-(methoxymethyl)-N-[4-(piperidin-1-ylmethyl)-1,3-thiazol-2-yl]piperidine-4-carboxamide;dihydrochloride?
The InChIKey is QYSHKHCYHOGVAU-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H28N4O2S.2ClH/c1-23-13-17(5-7-18-8-6-17)15(22)20-16-19-14(12-24-16)11-21-9-3-2-4-10-21;;/h12,18H,2-11,13H2,1H3,(H,19,20,22);2*1H.
What are the key properties of 4-(methoxymethyl)-N-[4-(piperidin-1-ylmethyl)-1,3-thiazol-2-yl]piperidine-4-carboxamide;dihydrochloride?
4-(methoxymethyl)-N-[4-(piperidin-1-ylmethyl)-1,3-thiazol-2-yl]piperidine-4-carboxamide;dihydrochloride has a molecular weight of 425.43 g/mol, XLogP of 2.93, 6 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(methoxymethyl)-N-[4-(piperidin-1-ylmethyl)-1,3-thiazol-2-yl]piperidine-4-carboxamide;dihydrochloride is sourced from PubChem (CID 120639846), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).