1-ethyl-4-[[4-(imidazol-1-ylmethyl)piperidin-1-yl]methyl]indole

C20H26N4 — CID 77097362

IUPAC1-ethyl-4-[[4-(imidazol-1-ylmethyl)piperidin-1-yl]methyl]indole
SMILESCCn1ccc2c(CN3CCC(Cn4ccnc4)CC3)cccc21
InChIInChI=1S/C20H26N4/c1-2-24-12-8-19-18(4-3-5-20(19)24)15-22-10-6-17(7-11-22)14-23-13-9-21-16-23/h3-5,8-9,12-13,16-17H,2,6-7,10-11,14-15H2,1H3
InChIKeyYXYDRSVKSQJICA-UHFFFAOYSA-N
MW322.46 g/mol
LogP3.77
Rot. Bonds5

About 1-ethyl-4-[[4-(imidazol-1-ylmethyl)piperidin-1-yl]methyl]indole

1-ethyl-4-[[4-(imidazol-1-ylmethyl)piperidin-1-yl]methyl]indole (PubChem CID 77097362) has the molecular formula C20H26N4 and a molecular weight of 322.46 g/mol. Its IUPAC name is 1-ethyl-4-[[4-(imidazol-1-ylmethyl)piperidin-1-yl]methyl]indole.

Molecular Properties

Compound Name1-ethyl-4-[[4-(imidazol-1-ylmethyl)piperidin-1-yl]methyl]indole
PubChem CID77097362
Molecular FormulaC20H26N4
Molecular Weight322.46 g/mol
Exact Mass322.22
IUPAC Name1-ethyl-4-[[4-(imidazol-1-ylmethyl)piperidin-1-yl]methyl]indole
SMILESCCn1ccc2c(CN3CCC(Cn4ccnc4)CC3)cccc21
InChIInChI=1S/C20H26N4/c1-2-24-12-8-19-18(4-3-5-20(19)24)15-22-10-6-17(7-11-22)14-23-13-9-21-16-23/h3-5,8-9,12-13,16-17H,2,6-7,10-11,14-15H2,1H3
InChIKeyYXYDRSVKSQJICA-UHFFFAOYSA-N
XLogP3.77
TPSA25.99 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500322.46
LogP ≤ 53.77
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Related Compounds

4-(imidazol-1-ylmethyl)-1-[(3-methylphenyl)methyl]piperidine
CID 90493809
1-[(2,5-difluorophenyl)methyl]-4-(imidazol-1-ylmethyl)piperidine
CID 90493839
1-[1-[(1-ethylindol-4-yl)methyl]piperidin-4-yl]piperidine-3-carboxylic acid
CID 74251113
[(3R,4S)-1-[(1-ethylindol-4-yl)methyl]-4-[(4-ethylpiperazin-1-yl)methyl]pyrrolidin-3-yl]methanol
CID 72937814
(3S,4R)-1-[(1-ethylindol-4-yl)methyl]-3-(hydroxymethyl)-3-propylpiperidin-4-ol
CID 162626005
5-fluoro-2-[[4-(imidazol-1-ylmethyl)piperidin-1-yl]methyl]-1-methylindole
CID 77088430
5-[[4-(imidazol-1-ylmethyl)piperidin-1-yl]methyl]-4-methyl-1,3-thiazole
CID 131892163
(4R,5R)-7-[(1-ethylindol-4-yl)methyl]-7-azaspiro[4.5]decan-4-ol
CID 165417589
(2R)-4-[(1-ethylindol-4-yl)methyl]morpholine-2-carboxylic acid
CID 125435479
(1S,5R)-7-[(1-ethylindol-4-yl)methyl]-3-oxa-7,9-diazabicyclo[3.3.2]decan-10-one
CID 135105029
1-[4-(imidazol-1-ylmethyl)piperidin-1-yl]-2-(3-methylphenyl)ethanone
CID 52992527
1-[(2-methylphenyl)methyl]-4-(pyrazol-1-ylmethyl)piperidine
CID 90495315

Frequently Asked Questions

What is the IUPAC name of 1-ethyl-4-[[4-(imidazol-1-ylmethyl)piperidin-1-yl]methyl]indole?
The IUPAC name of 1-ethyl-4-[[4-(imidazol-1-ylmethyl)piperidin-1-yl]methyl]indole (CID 77097362) is 1-ethyl-4-[[4-(imidazol-1-ylmethyl)piperidin-1-yl]methyl]indole.
What is the SMILES notation for 1-ethyl-4-[[4-(imidazol-1-ylmethyl)piperidin-1-yl]methyl]indole?
The canonical SMILES for 1-ethyl-4-[[4-(imidazol-1-ylmethyl)piperidin-1-yl]methyl]indole is CCn1ccc2c(CN3CCC(Cn4ccnc4)CC3)cccc21.
What is the InChIKey of 1-ethyl-4-[[4-(imidazol-1-ylmethyl)piperidin-1-yl]methyl]indole?
The InChIKey is YXYDRSVKSQJICA-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H26N4/c1-2-24-12-8-19-18(4-3-5-20(19)24)15-22-10-6-17(7-11-22)14-23-13-9-21-16-23/h3-5,8-9,12-13,16-17H,2,6-7,10-11,14-15H2,1H3.
What are the key properties of 1-ethyl-4-[[4-(imidazol-1-ylmethyl)piperidin-1-yl]methyl]indole?
1-ethyl-4-[[4-(imidazol-1-ylmethyl)piperidin-1-yl]methyl]indole has a molecular weight of 322.46 g/mol, XLogP of 3.77, 5 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-ethyl-4-[[4-(imidazol-1-ylmethyl)piperidin-1-yl]methyl]indole is sourced from PubChem (CID 77097362), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).