N-[(5-chlorothiophen-2-yl)methyl]-2-methoxy-N-[[1-[(2-methoxyphenyl)methyl]piperidin-4-yl]methyl]ethanamine

C22H31ClN2O2S — CID 25378961

IUPACN-[(5-chlorothiophen-2-yl)methyl]-2-methoxy-N-[[1-[(2-methoxyphenyl)methyl]piperidin-4-yl]methyl]ethanamine
SMILESCOCCN(Cc1ccc(Cl)s1)CC1CCN(Cc2ccccc2OC)CC1
InChIInChI=1S/C22H31ClN2O2S/c1-26-14-13-25(17-20-7-8-22(23)28-20)15-18-9-11-24(12-10-18)16-19-5-3-4-6-21(19)27-2/h3-8,18H,9-17H2,1-2H3
InChIKeyVIFCFYKEJBLJOF-UHFFFAOYSA-N
MW423.02 g/mol
LogP4.77
Rot. Bonds10

About N-[(5-chlorothiophen-2-yl)methyl]-2-methoxy-N-[[1-[(2-methoxyphenyl)methyl]piperidin-4-yl]methyl]ethanamine

N-[(5-chlorothiophen-2-yl)methyl]-2-methoxy-N-[[1-[(2-methoxyphenyl)methyl]piperidin-4-yl]methyl]ethanamine (PubChem CID 25378961) has the molecular formula C22H31ClN2O2S and a molecular weight of 423.02 g/mol. Its IUPAC name is N-[(5-chlorothiophen-2-yl)methyl]-2-methoxy-N-[[1-[(2-methoxyphenyl)methyl]piperidin-4-yl]methyl]ethanamine.

Molecular Properties

Compound NameN-[(5-chlorothiophen-2-yl)methyl]-2-methoxy-N-[[1-[(2-methoxyphenyl)methyl]piperidin-4-yl]methyl]ethanamine
PubChem CID25378961
Molecular FormulaC22H31ClN2O2S
Molecular Weight423.02 g/mol
Exact Mass422.18
IUPAC NameN-[(5-chlorothiophen-2-yl)methyl]-2-methoxy-N-[[1-[(2-methoxyphenyl)methyl]piperidin-4-yl]methyl]ethanamine
SMILESCOCCN(Cc1ccc(Cl)s1)CC1CCN(Cc2ccccc2OC)CC1
InChIInChI=1S/C22H31ClN2O2S/c1-26-14-13-25(17-20-7-8-22(23)28-20)15-18-9-11-24(12-10-18)16-19-5-3-4-6-21(19)27-2/h3-8,18H,9-17H2,1-2H3
InChIKeyVIFCFYKEJBLJOF-UHFFFAOYSA-N
XLogP4.77
TPSA24.94 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds10
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500423.02
LogP ≤ 54.77
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

Analyze N-[(5-chlorothiophen-2-yl)methyl]-2-methoxy-N-[[1-[(2-methoxyphenyl)methyl]piperidin-4-yl]methyl]ethanamine with MolForge

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Related Compounds

N-[(4,5-dimethylfuran-2-yl)methyl]-2-methoxy-N-[[1-[(2-methoxyphenyl)methyl]piperidin-4-yl]methyl]ethanamine
CID 42212099
N-[(2,5-dimethoxyphenyl)methyl]-N-[[1-[(2-fluorophenyl)methyl]piperidin-4-yl]methyl]-2-methoxyethanamine
CID 42157993
N-(2-methoxyethyl)-2-(2-methoxyphenyl)-N-[[1-[(2-methoxyphenyl)methyl]piperidin-4-yl]methyl]acetamide
CID 42458350
N-(2-methoxyethyl)-N-[[1-[(2-methoxyphenyl)methyl]piperidin-4-yl]methyl]cyclobutanecarboxamide
CID 26315195
N-(2-methoxyethyl)-N-[[1-[(2-methoxyphenyl)methyl]piperidin-4-yl]methyl]-2-methylsulfanylacetamide
CID 42190581
(2S)-N-(2-methoxyethyl)-N-[[1-[(2-methoxyphenyl)methyl]piperidin-4-yl]methyl]spiro[2.3]hexane-2-carboxamide
CID 42122512
N-(2-methoxyethyl)-N-[[1-[(2-methoxyphenyl)methyl]piperidin-4-yl]methyl]but-3-enamide
CID 42343578
2-acetamido-N-(2-methoxyethyl)-N-[[1-[(2-methoxyphenyl)methyl]piperidin-4-yl]methyl]acetamide
CID 25384935
4-chloro-1-[(2-methoxyphenyl)methyl]piperidine
CID 63389508
1-[(2-methoxyphenyl)methyl]piperidin-4-amine
CID 70277411
N-[[(1S)-cyclohex-3-en-1-yl]methyl]-N-[[1-[(2-fluorophenyl)methyl]piperidin-4-yl]methyl]-2-methoxyethanamine
CID 42212133
N-(2-methoxyethyl)-N-[[1-[(2-methoxyphenyl)methyl]piperidin-4-yl]methyl]-2-(1,2,4-triazol-1-yl)acetamide
CID 26390566

Frequently Asked Questions

What is the IUPAC name of N-[(5-chlorothiophen-2-yl)methyl]-2-methoxy-N-[[1-[(2-methoxyphenyl)methyl]piperidin-4-yl]methyl]ethanamine?
The IUPAC name of N-[(5-chlorothiophen-2-yl)methyl]-2-methoxy-N-[[1-[(2-methoxyphenyl)methyl]piperidin-4-yl]methyl]ethanamine (CID 25378961) is N-[(5-chlorothiophen-2-yl)methyl]-2-methoxy-N-[[1-[(2-methoxyphenyl)methyl]piperidin-4-yl]methyl]ethanamine.
What is the SMILES notation for N-[(5-chlorothiophen-2-yl)methyl]-2-methoxy-N-[[1-[(2-methoxyphenyl)methyl]piperidin-4-yl]methyl]ethanamine?
The canonical SMILES for N-[(5-chlorothiophen-2-yl)methyl]-2-methoxy-N-[[1-[(2-methoxyphenyl)methyl]piperidin-4-yl]methyl]ethanamine is COCCN(Cc1ccc(Cl)s1)CC1CCN(Cc2ccccc2OC)CC1.
What is the InChIKey of N-[(5-chlorothiophen-2-yl)methyl]-2-methoxy-N-[[1-[(2-methoxyphenyl)methyl]piperidin-4-yl]methyl]ethanamine?
The InChIKey is VIFCFYKEJBLJOF-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H31ClN2O2S/c1-26-14-13-25(17-20-7-8-22(23)28-20)15-18-9-11-24(12-10-18)16-19-5-3-4-6-21(19)27-2/h3-8,18H,9-17H2,1-2H3.
What are the key properties of N-[(5-chlorothiophen-2-yl)methyl]-2-methoxy-N-[[1-[(2-methoxyphenyl)methyl]piperidin-4-yl]methyl]ethanamine?
N-[(5-chlorothiophen-2-yl)methyl]-2-methoxy-N-[[1-[(2-methoxyphenyl)methyl]piperidin-4-yl]methyl]ethanamine has a molecular weight of 423.02 g/mol, XLogP of 4.77, 10 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(5-chlorothiophen-2-yl)methyl]-2-methoxy-N-[[1-[(2-methoxyphenyl)methyl]piperidin-4-yl]methyl]ethanamine is sourced from PubChem (CID 25378961), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).