4-(1H-imidazol-5-ylmethoxy)-1-[[5-(2-phenylethynyl)thiophen-2-yl]methyl]piperidine

C22H23N3OS — CID 11463059

IUPAC4-(1H-imidazol-5-ylmethoxy)-1-[[5-(2-phenylethynyl)thiophen-2-yl]methyl]piperidine
SMILESC(#Cc1ccc(CN2CCC(OCc3cnc[nH]3)CC2)s1)c1ccccc1
InChIInChI=1S/C22H23N3OS/c1-2-4-18(5-3-1)6-7-21-8-9-22(27-21)15-25-12-10-20(11-13-25)26-16-19-14-23-17-24-19/h1-5,8-9,14,17,20H,10-13,15-16H2,(H,23,24)
InChIKeyOWWXPEHYIQVGJP-UHFFFAOYSA-N
MW377.51 g/mol
LogP4.05
Rot. Bonds5

About 4-(1H-imidazol-5-ylmethoxy)-1-[[5-(2-phenylethynyl)thiophen-2-yl]methyl]piperidine

4-(1H-imidazol-5-ylmethoxy)-1-[[5-(2-phenylethynyl)thiophen-2-yl]methyl]piperidine (PubChem CID 11463059) has the molecular formula C22H23N3OS and a molecular weight of 377.51 g/mol. Its IUPAC name is 4-(1H-imidazol-5-ylmethoxy)-1-[[5-(2-phenylethynyl)thiophen-2-yl]methyl]piperidine.

Molecular Properties

Compound Name4-(1H-imidazol-5-ylmethoxy)-1-[[5-(2-phenylethynyl)thiophen-2-yl]methyl]piperidine
PubChem CID11463059
Molecular FormulaC22H23N3OS
Molecular Weight377.51 g/mol
Exact Mass377.16
IUPAC Name4-(1H-imidazol-5-ylmethoxy)-1-[[5-(2-phenylethynyl)thiophen-2-yl]methyl]piperidine
SMILESC(#Cc1ccc(CN2CCC(OCc3cnc[nH]3)CC2)s1)c1ccccc1
InChIInChI=1S/C22H23N3OS/c1-2-4-18(5-3-1)6-7-21-8-9-22(27-21)15-25-12-10-20(11-13-25)26-16-19-14-23-17-24-19/h1-5,8-9,14,17,20H,10-13,15-16H2,(H,23,24)
InChIKeyOWWXPEHYIQVGJP-UHFFFAOYSA-N
XLogP4.05
TPSA41.15 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500377.51
LogP ≤ 54.05
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'triple_bond', 'substructure': 'N/A'}

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Related Compounds

(3R)-4-benzyl-3-[5-(5-chlorothiophen-2-yl)-1H-imidazol-2-yl]morpholine
CID 75367150
1-[(6S)-2-phenyl-6,8-dihydro-5H-imidazo[2,1-c][1,4]oxazin-6-yl]-N-(thiophen-2-ylmethyl)methanamine
CID 75367382
1-[(6S)-3-phenyl-6,8-dihydro-5H-imidazo[2,1-c][1,4]oxazin-6-yl]-N-(thiophen-2-ylmethyl)methanamine
CID 86769427
1-[(2,5-difluorophenyl)methyl]-4-(1H-imidazol-5-ylmethoxy)piperidine
CID 11278222
1-[(4-fluorophenyl)methyl]-4-(1H-imidazol-5-ylmethoxy)piperidine
CID 11312296
1-[(3,4-difluorophenyl)methyl]-4-(1H-imidazol-5-ylmethoxy)piperidine
CID 11404030
1-[(3,5-difluorophenyl)methyl]-4-(1H-imidazol-5-ylmethoxy)piperidine
CID 11404031
1-[(2,6-difluorophenyl)methyl]-4-(1H-imidazol-5-ylmethoxy)piperidine
CID 11438222
1-[(2,4-difluorophenyl)methyl]-4-(1H-imidazol-5-ylmethoxy)piperidine
CID 11438223
1-[(3-fluorophenyl)methyl]-4-(1H-imidazol-5-ylmethoxy)piperidine
CID 11471793
4-(1H-imidazol-5-ylmethoxy)-1-[(5-methylsulfanylthiophen-2-yl)methyl]piperidine
CID 11186376
4-(1H-imidazol-5-ylmethoxy)-1-[[4-(2-phenylethynyl)thiophen-2-yl]methyl]piperidine
CID 11222655

Frequently Asked Questions

What is the IUPAC name of 4-(1H-imidazol-5-ylmethoxy)-1-[[5-(2-phenylethynyl)thiophen-2-yl]methyl]piperidine?
The IUPAC name of 4-(1H-imidazol-5-ylmethoxy)-1-[[5-(2-phenylethynyl)thiophen-2-yl]methyl]piperidine (CID 11463059) is 4-(1H-imidazol-5-ylmethoxy)-1-[[5-(2-phenylethynyl)thiophen-2-yl]methyl]piperidine.
What is the SMILES notation for 4-(1H-imidazol-5-ylmethoxy)-1-[[5-(2-phenylethynyl)thiophen-2-yl]methyl]piperidine?
The canonical SMILES for 4-(1H-imidazol-5-ylmethoxy)-1-[[5-(2-phenylethynyl)thiophen-2-yl]methyl]piperidine is C(#Cc1ccc(CN2CCC(OCc3cnc[nH]3)CC2)s1)c1ccccc1.
What is the InChIKey of 4-(1H-imidazol-5-ylmethoxy)-1-[[5-(2-phenylethynyl)thiophen-2-yl]methyl]piperidine?
The InChIKey is OWWXPEHYIQVGJP-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H23N3OS/c1-2-4-18(5-3-1)6-7-21-8-9-22(27-21)15-25-12-10-20(11-13-25)26-16-19-14-23-17-24-19/h1-5,8-9,14,17,20H,10-13,15-16H2,(H,23,24).
What are the key properties of 4-(1H-imidazol-5-ylmethoxy)-1-[[5-(2-phenylethynyl)thiophen-2-yl]methyl]piperidine?
4-(1H-imidazol-5-ylmethoxy)-1-[[5-(2-phenylethynyl)thiophen-2-yl]methyl]piperidine has a molecular weight of 377.51 g/mol, XLogP of 4.05, 5 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(1H-imidazol-5-ylmethoxy)-1-[[5-(2-phenylethynyl)thiophen-2-yl]methyl]piperidine is sourced from PubChem (CID 11463059), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).