1-[(1-benzylpyrazol-4-yl)methyl]-4-(ethoxymethyl)-4-(2-thiophen-2-ylethyl)piperidine

C25H33N3OS — CID 135323114

IUPAC1-[(1-benzylpyrazol-4-yl)methyl]-4-(ethoxymethyl)-4-(2-thiophen-2-ylethyl)piperidine
SMILESCCOCC1(CCc2cccs2)CCN(Cc2cnn(Cc3ccccc3)c2)CC1
InChIInChI=1S/C25H33N3OS/c1-2-29-21-25(11-10-24-9-6-16-30-24)12-14-27(15-13-25)18-23-17-26-28(20-23)19-22-7-4-3-5-8-22/h3-9,16-17,20H,2,10-15,18-19,21H2,1H3
InChIKeyQIFUDZGTBYHMPG-UHFFFAOYSA-N
MW423.63 g/mol
LogP5.24
Rot. Bonds10

About 1-[(1-benzylpyrazol-4-yl)methyl]-4-(ethoxymethyl)-4-(2-thiophen-2-ylethyl)piperidine

1-[(1-benzylpyrazol-4-yl)methyl]-4-(ethoxymethyl)-4-(2-thiophen-2-ylethyl)piperidine (PubChem CID 135323114) has the molecular formula C25H33N3OS and a molecular weight of 423.63 g/mol. Its IUPAC name is 1-[(1-benzylpyrazol-4-yl)methyl]-4-(ethoxymethyl)-4-(2-thiophen-2-ylethyl)piperidine.

Molecular Properties

Compound Name1-[(1-benzylpyrazol-4-yl)methyl]-4-(ethoxymethyl)-4-(2-thiophen-2-ylethyl)piperidine
PubChem CID135323114
Molecular FormulaC25H33N3OS
Molecular Weight423.63 g/mol
Exact Mass423.23
IUPAC Name1-[(1-benzylpyrazol-4-yl)methyl]-4-(ethoxymethyl)-4-(2-thiophen-2-ylethyl)piperidine
SMILESCCOCC1(CCc2cccs2)CCN(Cc2cnn(Cc3ccccc3)c2)CC1
InChIInChI=1S/C25H33N3OS/c1-2-29-21-25(11-10-24-9-6-16-30-24)12-14-27(15-13-25)18-23-17-26-28(20-23)19-22-7-4-3-5-8-22/h3-9,16-17,20H,2,10-15,18-19,21H2,1H3
InChIKeyQIFUDZGTBYHMPG-UHFFFAOYSA-N
XLogP5.24
TPSA30.29 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds10
Heavy Atoms30
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500423.63
LogP ≤ 55.24
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

Analyze 1-[(1-benzylpyrazol-4-yl)methyl]-4-(ethoxymethyl)-4-(2-thiophen-2-ylethyl)piperidine with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

4-(ethoxymethyl)-1-[(1-ethylpyrazol-4-yl)methyl]-4-(2-thiophen-2-ylethyl)piperidine
CID 135323092
4-[[3-(ethoxymethyl)-3-(2-thiophen-2-ylethyl)pyrrolidin-1-yl]methyl]-1-methylpyrazole
CID 135322910
3-[[3-(ethoxymethyl)-3-(2-thiophen-2-ylethyl)pyrrolidin-1-yl]methyl]pyridine
CID 135322514
4-(ethoxymethyl)-1-[(1-methylpyrazol-4-yl)methyl]-4-[2-(4-methylthiophen-2-yl)ethyl]piperidine
CID 135323163
2-[4-[[4-(ethoxymethyl)-4-(2-phenylethyl)piperidin-1-yl]methyl]phenyl]-1,3,4-thiadiazole
CID 135322739
4-(ethoxymethyl)-4-(2-phenylethyl)-1-[[4-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)phenyl]methyl]piperidine
CID 140909132
4-[[(3R)-3-(ethoxymethyl)-3-[2-(5-methylthiophen-2-yl)ethyl]pyrrolidin-1-yl]methyl]-1-methylpyrazole
CID 135323006
2-[4-[[4-(ethoxymethyl)-4-(2-phenylethyl)piperidin-1-yl]methyl]phenyl]-1,3,4-oxadiazole
CID 135322728
3-[[3-(ethoxymethyl)-3-(2-thiophen-2-ylethyl)pyrrolidin-1-yl]methyl]-2,4-dimethylpyridine
CID 135323038
2-chloro-4-[[4-(ethoxymethyl)-4-(2-phenylethyl)piperidin-1-yl]methyl]phenol
CID 162430253
[4-[[4-(ethoxymethyl)-4-(2-phenylethyl)piperidin-1-yl]methyl]phenyl]urea
CID 135322566
5-[1-[(3S)-3-(ethoxymethyl)-3-(2-thiophen-2-ylethyl)pyrrolidin-1-yl]cyclopropyl]-2-methylpyridine
CID 135330031

Frequently Asked Questions

What is the IUPAC name of 1-[(1-benzylpyrazol-4-yl)methyl]-4-(ethoxymethyl)-4-(2-thiophen-2-ylethyl)piperidine?
The IUPAC name of 1-[(1-benzylpyrazol-4-yl)methyl]-4-(ethoxymethyl)-4-(2-thiophen-2-ylethyl)piperidine (CID 135323114) is 1-[(1-benzylpyrazol-4-yl)methyl]-4-(ethoxymethyl)-4-(2-thiophen-2-ylethyl)piperidine.
What is the SMILES notation for 1-[(1-benzylpyrazol-4-yl)methyl]-4-(ethoxymethyl)-4-(2-thiophen-2-ylethyl)piperidine?
The canonical SMILES for 1-[(1-benzylpyrazol-4-yl)methyl]-4-(ethoxymethyl)-4-(2-thiophen-2-ylethyl)piperidine is CCOCC1(CCc2cccs2)CCN(Cc2cnn(Cc3ccccc3)c2)CC1.
What is the InChIKey of 1-[(1-benzylpyrazol-4-yl)methyl]-4-(ethoxymethyl)-4-(2-thiophen-2-ylethyl)piperidine?
The InChIKey is QIFUDZGTBYHMPG-UHFFFAOYSA-N. The full InChI is InChI=1S/C25H33N3OS/c1-2-29-21-25(11-10-24-9-6-16-30-24)12-14-27(15-13-25)18-23-17-26-28(20-23)19-22-7-4-3-5-8-22/h3-9,16-17,20H,2,10-15,18-19,21H2,1H3.
What are the key properties of 1-[(1-benzylpyrazol-4-yl)methyl]-4-(ethoxymethyl)-4-(2-thiophen-2-ylethyl)piperidine?
1-[(1-benzylpyrazol-4-yl)methyl]-4-(ethoxymethyl)-4-(2-thiophen-2-ylethyl)piperidine has a molecular weight of 423.63 g/mol, XLogP of 5.24, 10 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[(1-benzylpyrazol-4-yl)methyl]-4-(ethoxymethyl)-4-(2-thiophen-2-ylethyl)piperidine is sourced from PubChem (CID 135323114), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).