1-[4-[[(1-methylpiperidin-3-yl)methyl-(2-phenylethyl)amino]methyl]thiophen-2-yl]ethanone

C22H30N2OS — CID 45222782

IUPAC1-[4-[[(1-methylpiperidin-3-yl)methyl-(2-phenylethyl)amino]methyl]thiophen-2-yl]ethanone
SMILESCC(=O)c1cc(CN(CCc2ccccc2)CC2CCCN(C)C2)cs1
InChIInChI=1S/C22H30N2OS/c1-18(25)22-13-21(17-26-22)16-24(12-10-19-7-4-3-5-8-19)15-20-9-6-11-23(2)14-20/h3-5,7-8,13,17,20H,6,9-12,14-16H2,1-2H3
InChIKeyJRSSFAYQFFNANL-UHFFFAOYSA-N
MW370.56 g/mol
LogP4.34
Rot. Bonds8

About 1-[4-[[(1-methylpiperidin-3-yl)methyl-(2-phenylethyl)amino]methyl]thiophen-2-yl]ethanone

1-[4-[[(1-methylpiperidin-3-yl)methyl-(2-phenylethyl)amino]methyl]thiophen-2-yl]ethanone (PubChem CID 45222782) has the molecular formula C22H30N2OS and a molecular weight of 370.56 g/mol. Its IUPAC name is 1-[4-[[(1-methylpiperidin-3-yl)methyl-(2-phenylethyl)amino]methyl]thiophen-2-yl]ethanone.

Molecular Properties

Compound Name1-[4-[[(1-methylpiperidin-3-yl)methyl-(2-phenylethyl)amino]methyl]thiophen-2-yl]ethanone
PubChem CID45222782
Molecular FormulaC22H30N2OS
Molecular Weight370.56 g/mol
Exact Mass370.21
IUPAC Name1-[4-[[(1-methylpiperidin-3-yl)methyl-(2-phenylethyl)amino]methyl]thiophen-2-yl]ethanone
SMILESCC(=O)c1cc(CN(CCc2ccccc2)CC2CCCN(C)C2)cs1
InChIInChI=1S/C22H30N2OS/c1-18(25)22-13-21(17-26-22)16-24(12-10-19-7-4-3-5-8-19)15-20-9-6-11-23(2)14-20/h3-5,7-8,13,17,20H,6,9-12,14-16H2,1-2H3
InChIKeyJRSSFAYQFFNANL-UHFFFAOYSA-N
XLogP4.34
TPSA23.55 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds8
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500370.56
LogP ≤ 54.34
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

Analyze 1-[4-[[(1-methylpiperidin-3-yl)methyl-(2-phenylethyl)amino]methyl]thiophen-2-yl]ethanone with MolForge

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Related Compounds

1-[4-[[[(3S)-1-cyclopentylpiperidin-3-yl]methyl-(2-piperidin-1-ylethyl)amino]methyl]thiophen-2-yl]ethanone
CID 29085541
1-[4-[[[(3R)-1-[2-(2-methoxyphenyl)ethyl]piperidin-3-yl]methyl-methylamino]methyl]thiophen-2-yl]ethanone
CID 29029788
1-[4-[[[(3R)-1-[2-(4-methoxyphenyl)ethyl]piperidin-3-yl]methyl-methylamino]methyl]thiophen-2-yl]ethanone
CID 29258603
N-[(2-ethyl-5-methyl-1H-imidazol-4-yl)methyl]-N-[(1-methylpiperidin-3-yl)methyl]-2-phenylethanamine
CID 45223480
5-acetyl-N-methyl-N-[(3S)-1-(2-phenylethyl)piperidin-3-yl]thiophene-3-carboxamide
CID 25383007
2-methoxy-N-[[(3R)-1-methylpiperidin-3-yl]methyl]-N-(2-phenylethyl)acetamide
CID 42152603
N-[[(3R)-1-methylpiperidin-3-yl]methyl]-3-methylsulfanyl-N-(2-phenylethyl)propanamide
CID 42242327
2-methoxy-N-[(1-methylpiperidin-3-yl)methyl]-N-(2-phenylethyl)benzamide
CID 45211873
1-[4-[[[1-[(2-methylphenyl)methyl]piperidin-4-yl]methyl-(oxolan-2-ylmethyl)amino]methyl]thiophen-2-yl]ethanone
CID 45212523
1-[1-[2-(5-acetylthiophen-3-yl)acetyl]piperidin-3-yl]-2-phenylethanone
CID 70780899
2,4-dimethoxy-N-[(1-methylpiperidin-3-yl)methyl]-N-(2-phenylethyl)benzamide
CID 45210338
1-[3-[[[(3S)-1-cyclopentylpiperidin-3-yl]methyl-(2-piperidin-1-ylethyl)amino]methyl]phenyl]ethanone
CID 28822180

Frequently Asked Questions

What is the IUPAC name of 1-[4-[[(1-methylpiperidin-3-yl)methyl-(2-phenylethyl)amino]methyl]thiophen-2-yl]ethanone?
The IUPAC name of 1-[4-[[(1-methylpiperidin-3-yl)methyl-(2-phenylethyl)amino]methyl]thiophen-2-yl]ethanone (CID 45222782) is 1-[4-[[(1-methylpiperidin-3-yl)methyl-(2-phenylethyl)amino]methyl]thiophen-2-yl]ethanone.
What is the SMILES notation for 1-[4-[[(1-methylpiperidin-3-yl)methyl-(2-phenylethyl)amino]methyl]thiophen-2-yl]ethanone?
The canonical SMILES for 1-[4-[[(1-methylpiperidin-3-yl)methyl-(2-phenylethyl)amino]methyl]thiophen-2-yl]ethanone is CC(=O)c1cc(CN(CCc2ccccc2)CC2CCCN(C)C2)cs1.
What is the InChIKey of 1-[4-[[(1-methylpiperidin-3-yl)methyl-(2-phenylethyl)amino]methyl]thiophen-2-yl]ethanone?
The InChIKey is JRSSFAYQFFNANL-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H30N2OS/c1-18(25)22-13-21(17-26-22)16-24(12-10-19-7-4-3-5-8-19)15-20-9-6-11-23(2)14-20/h3-5,7-8,13,17,20H,6,9-12,14-16H2,1-2H3.
What are the key properties of 1-[4-[[(1-methylpiperidin-3-yl)methyl-(2-phenylethyl)amino]methyl]thiophen-2-yl]ethanone?
1-[4-[[(1-methylpiperidin-3-yl)methyl-(2-phenylethyl)amino]methyl]thiophen-2-yl]ethanone has a molecular weight of 370.56 g/mol, XLogP of 4.34, 8 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[4-[[(1-methylpiperidin-3-yl)methyl-(2-phenylethyl)amino]methyl]thiophen-2-yl]ethanone is sourced from PubChem (CID 45222782), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).