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

C18H32Cl2N4O2S — CID 120887748

IUPACN-[[4-(methoxymethyl)piperidin-4-yl]methyl]-1-(4-methyl-1,3-thiazol-2-yl)piperidine-4-carboxamide;dihydrochloride
SMILESCOCC1(CNC(=O)C2CCN(c3nc(C)cs3)CC2)CCNCC1.Cl.Cl
InChIInChI=1S/C18H30N4O2S.2ClH/c1-14-11-25-17(21-14)22-9-3-15(4-10-22)16(23)20-12-18(13-24-2)5-7-19-8-6-18;;/h11,15,19H,3-10,12-13H2,1-2H3,(H,20,23);2*1H
InChIKeyRLAAJRXKKWYXKM-UHFFFAOYSA-N
MW439.45 g/mol
LogP2.64
Rot. Bonds6

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

N-[[4-(methoxymethyl)piperidin-4-yl]methyl]-1-(4-methyl-1,3-thiazol-2-yl)piperidine-4-carboxamide;dihydrochloride (PubChem CID 120887748) has the molecular formula C18H32Cl2N4O2S and a molecular weight of 439.45 g/mol. Its IUPAC name is N-[[4-(methoxymethyl)piperidin-4-yl]methyl]-1-(4-methyl-1,3-thiazol-2-yl)piperidine-4-carboxamide;dihydrochloride.

Molecular Properties

Compound NameN-[[4-(methoxymethyl)piperidin-4-yl]methyl]-1-(4-methyl-1,3-thiazol-2-yl)piperidine-4-carboxamide;dihydrochloride
PubChem CID120887748
Molecular FormulaC18H32Cl2N4O2S
Molecular Weight439.45 g/mol
Exact Mass438.16
IUPAC NameN-[[4-(methoxymethyl)piperidin-4-yl]methyl]-1-(4-methyl-1,3-thiazol-2-yl)piperidine-4-carboxamide;dihydrochloride
SMILESCOCC1(CNC(=O)C2CCN(c3nc(C)cs3)CC2)CCNCC1.Cl.Cl
InChIInChI=1S/C18H30N4O2S.2ClH/c1-14-11-25-17(21-14)22-9-3-15(4-10-22)16(23)20-12-18(13-24-2)5-7-19-8-6-18;;/h11,15,19H,3-10,12-13H2,1-2H3,(H,20,23);2*1H
InChIKeyRLAAJRXKKWYXKM-UHFFFAOYSA-N
XLogP2.64
TPSA66.49 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds6
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500439.45
LogP ≤ 52.64
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

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Related Compounds

[4-(methoxymethyl)piperidin-4-yl]-[4-(4-methyl-1,3-thiazol-2-yl)piperazin-1-yl]methanone
CID 120642696
2-cyclopropyl-N-[[4-(methoxymethyl)piperidin-4-yl]methyl]-1,3-thiazole-4-carboxamide;dihydrochloride
CID 120891937
N-[[4-(methoxymethyl)piperidin-4-yl]methyl]bicyclo[4.1.0]heptane-7-carboxamide
CID 120887599
N-[[4-(methoxymethyl)piperidin-4-yl]methyl]-1-(pyrrolidine-1-carbonyl)piperidine-3-carboxamide
CID 120887186
1-acetyl-N-[[4-(methoxymethyl)piperidin-4-yl]methyl]piperidine-3-carboxamide
CID 120891848
ethane;4-methyl-2-piperazin-1-yl-1,3-thiazole
CID 143994298
1-(2,2-dimethylpropanoyl)-N-[[4-(methoxymethyl)piperidin-4-yl]methyl]piperidine-3-carboxamide;hydrochloride
CID 120888136
1-(4-chlorophenyl)-N-[[4-(methoxymethyl)piperidin-4-yl]methyl]-2-oxopyrrolidine-3-carboxamide
CID 120888456
N-[[4-(methoxymethyl)piperidin-4-yl]methyl]-2,4-dimethyl-1,3-oxazole-5-carboxamide;hydrochloride
CID 120888736
N-[[4-(methoxymethyl)piperidin-4-yl]methyl]-2-propan-2-yl-1,3-thiazole-4-carboxamide
CID 120887412
N-[4-[2-[[4-(methoxymethyl)piperidin-4-yl]methylamino]-2-oxoethyl]phenyl]cyclopropanecarboxamide
CID 120891329
N-[[4-(methoxymethyl)piperidin-4-yl]methyl]-2-(4-methylphenyl)-1,3-thiazole-4-carboxamide
CID 120892014

Frequently Asked Questions

What is the IUPAC name of N-[[4-(methoxymethyl)piperidin-4-yl]methyl]-1-(4-methyl-1,3-thiazol-2-yl)piperidine-4-carboxamide;dihydrochloride?
The IUPAC name of N-[[4-(methoxymethyl)piperidin-4-yl]methyl]-1-(4-methyl-1,3-thiazol-2-yl)piperidine-4-carboxamide;dihydrochloride (CID 120887748) is N-[[4-(methoxymethyl)piperidin-4-yl]methyl]-1-(4-methyl-1,3-thiazol-2-yl)piperidine-4-carboxamide;dihydrochloride.
What is the SMILES notation for N-[[4-(methoxymethyl)piperidin-4-yl]methyl]-1-(4-methyl-1,3-thiazol-2-yl)piperidine-4-carboxamide;dihydrochloride?
The canonical SMILES for N-[[4-(methoxymethyl)piperidin-4-yl]methyl]-1-(4-methyl-1,3-thiazol-2-yl)piperidine-4-carboxamide;dihydrochloride is COCC1(CNC(=O)C2CCN(c3nc(C)cs3)CC2)CCNCC1.Cl.Cl.
What is the InChIKey of N-[[4-(methoxymethyl)piperidin-4-yl]methyl]-1-(4-methyl-1,3-thiazol-2-yl)piperidine-4-carboxamide;dihydrochloride?
The InChIKey is RLAAJRXKKWYXKM-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H30N4O2S.2ClH/c1-14-11-25-17(21-14)22-9-3-15(4-10-22)16(23)20-12-18(13-24-2)5-7-19-8-6-18;;/h11,15,19H,3-10,12-13H2,1-2H3,(H,20,23);2*1H.
What are the key properties of N-[[4-(methoxymethyl)piperidin-4-yl]methyl]-1-(4-methyl-1,3-thiazol-2-yl)piperidine-4-carboxamide;dihydrochloride?
N-[[4-(methoxymethyl)piperidin-4-yl]methyl]-1-(4-methyl-1,3-thiazol-2-yl)piperidine-4-carboxamide;dihydrochloride has a molecular weight of 439.45 g/mol, XLogP of 2.64, 6 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N-[[4-(methoxymethyl)piperidin-4-yl]methyl]-1-(4-methyl-1,3-thiazol-2-yl)piperidine-4-carboxamide;dihydrochloride is sourced from PubChem (CID 120887748), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).