4-(ethoxymethyl)-1-[(1-methylpyrazol-4-yl)methyl]-4-[2-(4-methylthiophen-2-yl)ethyl]piperidine

C20H31N3OS — CID 135323163

IUPAC4-(ethoxymethyl)-1-[(1-methylpyrazol-4-yl)methyl]-4-[2-(4-methylthiophen-2-yl)ethyl]piperidine
SMILESCCOCC1(CCc2cc(C)cs2)CCN(Cc2cnn(C)c2)CC1
InChIInChI=1S/C20H31N3OS/c1-4-24-16-20(6-5-19-11-17(2)15-25-19)7-9-23(10-8-20)14-18-12-21-22(3)13-18/h11-13,15H,4-10,14,16H2,1-3H3
InChIKeyZIALLYRBEITGRO-UHFFFAOYSA-N
MW361.56 g/mol
LogP4.04
Rot. Bonds8

About 4-(ethoxymethyl)-1-[(1-methylpyrazol-4-yl)methyl]-4-[2-(4-methylthiophen-2-yl)ethyl]piperidine

4-(ethoxymethyl)-1-[(1-methylpyrazol-4-yl)methyl]-4-[2-(4-methylthiophen-2-yl)ethyl]piperidine (PubChem CID 135323163) has the molecular formula C20H31N3OS and a molecular weight of 361.56 g/mol. Its IUPAC name is 4-(ethoxymethyl)-1-[(1-methylpyrazol-4-yl)methyl]-4-[2-(4-methylthiophen-2-yl)ethyl]piperidine.

Molecular Properties

Compound Name4-(ethoxymethyl)-1-[(1-methylpyrazol-4-yl)methyl]-4-[2-(4-methylthiophen-2-yl)ethyl]piperidine
PubChem CID135323163
Molecular FormulaC20H31N3OS
Molecular Weight361.56 g/mol
Exact Mass361.22
IUPAC Name4-(ethoxymethyl)-1-[(1-methylpyrazol-4-yl)methyl]-4-[2-(4-methylthiophen-2-yl)ethyl]piperidine
SMILESCCOCC1(CCc2cc(C)cs2)CCN(Cc2cnn(C)c2)CC1
InChIInChI=1S/C20H31N3OS/c1-4-24-16-20(6-5-19-11-17(2)15-25-19)7-9-23(10-8-20)14-18-12-21-22(3)13-18/h11-13,15H,4-10,14,16H2,1-3H3
InChIKeyZIALLYRBEITGRO-UHFFFAOYSA-N
XLogP4.04
TPSA30.29 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds8
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500361.56
LogP ≤ 54.04
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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Related Compounds

4-[[3-(ethoxymethyl)-3-(2-thiophen-2-ylethyl)pyrrolidin-1-yl]methyl]-1-methylpyrazole
CID 135322910
4-[[(3R)-3-(ethoxymethyl)-3-[2-(5-methylthiophen-2-yl)ethyl]pyrrolidin-1-yl]methyl]-1-methylpyrazole
CID 135323006
4-(ethoxymethyl)-1-[(1-ethylpyrazol-4-yl)methyl]-4-(2-thiophen-2-ylethyl)piperidine
CID 135323092
1-[(1-benzylpyrazol-4-yl)methyl]-4-(ethoxymethyl)-4-(2-thiophen-2-ylethyl)piperidine
CID 135323114
3-[[3-(ethoxymethyl)-3-(2-thiophen-2-ylethyl)pyrrolidin-1-yl]methyl]pyridine
CID 135322514
3-ethoxy-8-[(1-methylpyrazol-4-yl)methyl]-1-oxa-8-azaspiro[4.5]decane
CID 131641032
(3S)-3-ethoxy-8-[(1-methylpyrazol-4-yl)methyl]-1-oxa-8-azaspiro[4.5]decane
CID 97450663
4-[(3,4-dimethylphenoxy)methyl]-1-[(1-methylpyrazol-4-yl)methyl]piperidin-4-ol
CID 171700422
2-[4-[[4-(ethoxymethyl)-4-(2-phenylethyl)piperidin-1-yl]methyl]phenyl]-1,3,4-oxadiazole
CID 135322728
2-[4-[(1-methylpyrazol-4-yl)methyl]-1,4-diazepan-1-yl]ethanamine
CID 62127922
N-methyl-2-(1-methylpyrazol-4-yl)-N-[[4-(pyrrolidin-1-ylmethyl)thiophen-2-yl]methyl]ethanamine
CID 77092479
3-[[3-(ethoxymethyl)-3-(2-thiophen-2-ylethyl)pyrrolidin-1-yl]methyl]-2,4-dimethylpyridine
CID 135323038

Frequently Asked Questions

What is the IUPAC name of 4-(ethoxymethyl)-1-[(1-methylpyrazol-4-yl)methyl]-4-[2-(4-methylthiophen-2-yl)ethyl]piperidine?
The IUPAC name of 4-(ethoxymethyl)-1-[(1-methylpyrazol-4-yl)methyl]-4-[2-(4-methylthiophen-2-yl)ethyl]piperidine (CID 135323163) is 4-(ethoxymethyl)-1-[(1-methylpyrazol-4-yl)methyl]-4-[2-(4-methylthiophen-2-yl)ethyl]piperidine.
What is the SMILES notation for 4-(ethoxymethyl)-1-[(1-methylpyrazol-4-yl)methyl]-4-[2-(4-methylthiophen-2-yl)ethyl]piperidine?
The canonical SMILES for 4-(ethoxymethyl)-1-[(1-methylpyrazol-4-yl)methyl]-4-[2-(4-methylthiophen-2-yl)ethyl]piperidine is CCOCC1(CCc2cc(C)cs2)CCN(Cc2cnn(C)c2)CC1.
What is the InChIKey of 4-(ethoxymethyl)-1-[(1-methylpyrazol-4-yl)methyl]-4-[2-(4-methylthiophen-2-yl)ethyl]piperidine?
The InChIKey is ZIALLYRBEITGRO-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H31N3OS/c1-4-24-16-20(6-5-19-11-17(2)15-25-19)7-9-23(10-8-20)14-18-12-21-22(3)13-18/h11-13,15H,4-10,14,16H2,1-3H3.
What are the key properties of 4-(ethoxymethyl)-1-[(1-methylpyrazol-4-yl)methyl]-4-[2-(4-methylthiophen-2-yl)ethyl]piperidine?
4-(ethoxymethyl)-1-[(1-methylpyrazol-4-yl)methyl]-4-[2-(4-methylthiophen-2-yl)ethyl]piperidine has a molecular weight of 361.56 g/mol, XLogP of 4.04, 8 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(ethoxymethyl)-1-[(1-methylpyrazol-4-yl)methyl]-4-[2-(4-methylthiophen-2-yl)ethyl]piperidine is sourced from PubChem (CID 135323163), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).