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

C15H25Cl2N3O2S — CID 120891937

IUPAC2-cyclopropyl-N-[[4-(methoxymethyl)piperidin-4-yl]methyl]-1,3-thiazole-4-carboxamide;dihydrochloride
SMILESCOCC1(CNC(=O)c2csc(C3CC3)n2)CCNCC1.Cl.Cl
InChIInChI=1S/C15H23N3O2S.2ClH/c1-20-10-15(4-6-16-7-5-15)9-17-13(19)12-8-21-14(18-12)11-2-3-11;;/h8,11,16H,2-7,9-10H2,1H3,(H,17,19);2*1H
InChIKeyWOKUJZRHCYOFPM-UHFFFAOYSA-N
MW382.36 g/mol
LogP2.61
Rot. Bonds6

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

2-cyclopropyl-N-[[4-(methoxymethyl)piperidin-4-yl]methyl]-1,3-thiazole-4-carboxamide;dihydrochloride (PubChem CID 120891937) has the molecular formula C15H25Cl2N3O2S and a molecular weight of 382.36 g/mol. Its IUPAC name is 2-cyclopropyl-N-[[4-(methoxymethyl)piperidin-4-yl]methyl]-1,3-thiazole-4-carboxamide;dihydrochloride.

Molecular Properties

Compound Name2-cyclopropyl-N-[[4-(methoxymethyl)piperidin-4-yl]methyl]-1,3-thiazole-4-carboxamide;dihydrochloride
PubChem CID120891937
Molecular FormulaC15H25Cl2N3O2S
Molecular Weight382.36 g/mol
Exact Mass381.10
IUPAC Name2-cyclopropyl-N-[[4-(methoxymethyl)piperidin-4-yl]methyl]-1,3-thiazole-4-carboxamide;dihydrochloride
SMILESCOCC1(CNC(=O)c2csc(C3CC3)n2)CCNCC1.Cl.Cl
InChIInChI=1S/C15H23N3O2S.2ClH/c1-20-10-15(4-6-16-7-5-15)9-17-13(19)12-8-21-14(18-12)11-2-3-11;;/h8,11,16H,2-7,9-10H2,1H3,(H,17,19);2*1H
InChIKeyWOKUJZRHCYOFPM-UHFFFAOYSA-N
XLogP2.61
TPSA63.25 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500382.36
LogP ≤ 52.61
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Related Compounds

N-[[4-(methoxymethyl)piperidin-4-yl]methyl]-2-propan-2-yl-1,3-thiazole-4-carboxamide
CID 120887412
N-[[4-(methoxymethyl)piperidin-4-yl]methyl]-2-(4-methylphenyl)-1,3-thiazole-4-carboxamide
CID 120892014
2-(4-chlorophenyl)-N-[[4-(methoxymethyl)piperidin-4-yl]methyl]-1,3-thiazole-4-carboxamide
CID 120888047
N-[[4-(methoxymethyl)piperidin-4-yl]methyl]-2-(5-methylfuran-2-yl)-1,3-thiazole-4-carboxamide;hydrochloride
CID 120889232
N-[[4-(methoxymethyl)piperidin-4-yl]methyl]-6-methyl-4,5,6,7-tetrahydro-1-benzothiophene-3-carboxamide;hydrochloride
CID 120889336
1-tert-butyl-5-cyclopropyl-N-[[4-(methoxymethyl)piperidin-4-yl]methyl]pyrazole-3-carboxamide
CID 120889149
5-cyclopropyl-N-[[4-(methoxymethyl)piperidin-4-yl]methyl]-1-methylpyrazole-4-carboxamide
CID 120890805
N-[[4-(methoxymethyl)piperidin-4-yl]methyl]-5-propan-2-yl-1H-pyrazole-3-carboxamide
CID 120888556
5-ethyl-N-[[4-(methoxymethyl)piperidin-4-yl]methyl]-1H-pyrazole-3-carboxamide;hydrochloride
CID 120890188
N-[[4-(methoxymethyl)piperidin-4-yl]methyl]-4-methyl-1H-pyrrole-3-carboxamide;hydrochloride
CID 120889500
N-[[4-(methoxymethyl)piperidin-4-yl]methyl]-3-(2-methyl-1,3-thiazol-4-yl)benzamide;dihydrochloride
CID 120890642
N-[[4-(methoxymethyl)piperidin-4-yl]methyl]quinoxaline-2-carboxamide
CID 120891616

Frequently Asked Questions

What is the IUPAC name of 2-cyclopropyl-N-[[4-(methoxymethyl)piperidin-4-yl]methyl]-1,3-thiazole-4-carboxamide;dihydrochloride?
The IUPAC name of 2-cyclopropyl-N-[[4-(methoxymethyl)piperidin-4-yl]methyl]-1,3-thiazole-4-carboxamide;dihydrochloride (CID 120891937) is 2-cyclopropyl-N-[[4-(methoxymethyl)piperidin-4-yl]methyl]-1,3-thiazole-4-carboxamide;dihydrochloride.
What is the SMILES notation for 2-cyclopropyl-N-[[4-(methoxymethyl)piperidin-4-yl]methyl]-1,3-thiazole-4-carboxamide;dihydrochloride?
The canonical SMILES for 2-cyclopropyl-N-[[4-(methoxymethyl)piperidin-4-yl]methyl]-1,3-thiazole-4-carboxamide;dihydrochloride is COCC1(CNC(=O)c2csc(C3CC3)n2)CCNCC1.Cl.Cl.
What is the InChIKey of 2-cyclopropyl-N-[[4-(methoxymethyl)piperidin-4-yl]methyl]-1,3-thiazole-4-carboxamide;dihydrochloride?
The InChIKey is WOKUJZRHCYOFPM-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H23N3O2S.2ClH/c1-20-10-15(4-6-16-7-5-15)9-17-13(19)12-8-21-14(18-12)11-2-3-11;;/h8,11,16H,2-7,9-10H2,1H3,(H,17,19);2*1H.
What are the key properties of 2-cyclopropyl-N-[[4-(methoxymethyl)piperidin-4-yl]methyl]-1,3-thiazole-4-carboxamide;dihydrochloride?
2-cyclopropyl-N-[[4-(methoxymethyl)piperidin-4-yl]methyl]-1,3-thiazole-4-carboxamide;dihydrochloride has a molecular weight of 382.36 g/mol, XLogP of 2.61, 6 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-cyclopropyl-N-[[4-(methoxymethyl)piperidin-4-yl]methyl]-1,3-thiazole-4-carboxamide;dihydrochloride is sourced from PubChem (CID 120891937), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).