[2-methyl-1-[(3-methylphenyl)methyl]indol-5-yl]-piperidin-1-ylmethanone

C23H26N2O — CID 129319399

IUPAC[2-methyl-1-[(3-methylphenyl)methyl]indol-5-yl]-piperidin-1-ylmethanone
SMILESCc1cccc(Cn2c(C)cc3cc(C(=O)N4CCCCC4)ccc32)c1
InChIInChI=1S/C23H26N2O/c1-17-7-6-8-19(13-17)16-25-18(2)14-21-15-20(9-10-22(21)25)23(26)24-11-4-3-5-12-24/h6-10,13-15H,3-5,11-12,16H2,1-2H3
InChIKeyWUZUGVLACRMGIE-UHFFFAOYSA-N
MW346.47 g/mol
LogP4.93
Rot. Bonds3

About [2-methyl-1-[(3-methylphenyl)methyl]indol-5-yl]-piperidin-1-ylmethanone

[2-methyl-1-[(3-methylphenyl)methyl]indol-5-yl]-piperidin-1-ylmethanone (PubChem CID 129319399) has the molecular formula C23H26N2O and a molecular weight of 346.47 g/mol. Its IUPAC name is [2-methyl-1-[(3-methylphenyl)methyl]indol-5-yl]-piperidin-1-ylmethanone.

Molecular Properties

Compound Name[2-methyl-1-[(3-methylphenyl)methyl]indol-5-yl]-piperidin-1-ylmethanone
PubChem CID129319399
Molecular FormulaC23H26N2O
Molecular Weight346.47 g/mol
Exact Mass346.20
IUPAC Name[2-methyl-1-[(3-methylphenyl)methyl]indol-5-yl]-piperidin-1-ylmethanone
SMILESCc1cccc(Cn2c(C)cc3cc(C(=O)N4CCCCC4)ccc32)c1
InChIInChI=1S/C23H26N2O/c1-17-7-6-8-19(13-17)16-25-18(2)14-21-15-20(9-10-22(21)25)23(26)24-11-4-3-5-12-24/h6-10,13-15H,3-5,11-12,16H2,1-2H3
InChIKeyWUZUGVLACRMGIE-UHFFFAOYSA-N
XLogP4.93
TPSA25.24 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500346.47
LogP ≤ 54.93
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Related Compounds

azocan-1-yl-(3-methylphenyl)methanone
CID 3308040
[3-[[4-(3-methylphenyl)piperazin-1-yl]methyl]phenyl]-piperidin-1-ylmethanone
CID 60527766
2-chloro-N-[1-[(3-methylphenyl)methyl]-2-(pyrrolidine-1-carbonyl)indol-5-yl]benzamide
CID 42808853
[2-methyl-4-[(3-methylphenyl)methyl]thieno[3,2-b]pyrrol-5-yl]-pyrrolidin-1-ylmethanone
CID 46039491
[4-[4-[(3-methylphenyl)methylamino]-6-[4-(piperidine-1-carbonyl)phenyl]-1,3,5-triazin-2-yl]phenyl]-piperidin-1-ylmethanone
CID 142845614
[2-bromo-4-[(3-methylphenyl)methyl]thieno[3,2-b]pyrrol-5-yl]-pyrrolidin-1-ylmethanone
CID 46039977
azepan-1-yl-(3-ethylphenyl)methanone
CID 59382478
(4-fluorophenyl)-[4-[(3-methylphenyl)methyl]piperazin-1-yl]methanone
CID 828785
1,3-benzodioxol-5-yl-[4-[(3-methylphenyl)methyl]-1,4-diazepan-1-yl]methanone
CID 23762555
5-[(3-methylphenyl)methyl]-11,11-dioxo-3-(piperidine-1-carbonyl)benzo[b][1,4]benzothiazepin-6-one
CID 20861106
[3-[(4-methylpiperazin-1-yl)methyl]phenyl]-piperidin-1-ylmethanone
CID 10828160
2-[4-[(3-methylphenyl)methyl]piperazin-1-yl]-1-piperidin-1-ylethanone
CID 78793298

Frequently Asked Questions

What is the IUPAC name of [2-methyl-1-[(3-methylphenyl)methyl]indol-5-yl]-piperidin-1-ylmethanone?
The IUPAC name of [2-methyl-1-[(3-methylphenyl)methyl]indol-5-yl]-piperidin-1-ylmethanone (CID 129319399) is [2-methyl-1-[(3-methylphenyl)methyl]indol-5-yl]-piperidin-1-ylmethanone.
What is the SMILES notation for [2-methyl-1-[(3-methylphenyl)methyl]indol-5-yl]-piperidin-1-ylmethanone?
The canonical SMILES for [2-methyl-1-[(3-methylphenyl)methyl]indol-5-yl]-piperidin-1-ylmethanone is Cc1cccc(Cn2c(C)cc3cc(C(=O)N4CCCCC4)ccc32)c1.
What is the InChIKey of [2-methyl-1-[(3-methylphenyl)methyl]indol-5-yl]-piperidin-1-ylmethanone?
The InChIKey is WUZUGVLACRMGIE-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H26N2O/c1-17-7-6-8-19(13-17)16-25-18(2)14-21-15-20(9-10-22(21)25)23(26)24-11-4-3-5-12-24/h6-10,13-15H,3-5,11-12,16H2,1-2H3.
What are the key properties of [2-methyl-1-[(3-methylphenyl)methyl]indol-5-yl]-piperidin-1-ylmethanone?
[2-methyl-1-[(3-methylphenyl)methyl]indol-5-yl]-piperidin-1-ylmethanone has a molecular weight of 346.47 g/mol, XLogP of 4.93, 3 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for [2-methyl-1-[(3-methylphenyl)methyl]indol-5-yl]-piperidin-1-ylmethanone is sourced from PubChem (CID 129319399), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).