[4-(1H-indol-3-yl)piperidin-1-yl]-(2-methylphenyl)methanone

C21H22N2O — CID 84559294

IUPAC[4-(1H-indol-3-yl)piperidin-1-yl]-(2-methylphenyl)methanone
SMILESCc1ccccc1C(=O)N1CCC(c2c[nH]c3ccccc23)CC1
InChIInChI=1S/C21H22N2O/c1-15-6-2-3-7-17(15)21(24)23-12-10-16(11-13-23)19-14-22-20-9-5-4-8-18(19)20/h2-9,14,16,22H,10-13H2,1H3
InChIKeyLWWVQCIYHLWIOJ-UHFFFAOYSA-N
MW318.42 g/mol
LogP4.50
Rot. Bonds2

About [4-(1H-indol-3-yl)piperidin-1-yl]-(2-methylphenyl)methanone

[4-(1H-indol-3-yl)piperidin-1-yl]-(2-methylphenyl)methanone (PubChem CID 84559294) has the molecular formula C21H22N2O and a molecular weight of 318.42 g/mol. Its IUPAC name is [4-(1H-indol-3-yl)piperidin-1-yl]-(2-methylphenyl)methanone.

Molecular Properties

Compound Name[4-(1H-indol-3-yl)piperidin-1-yl]-(2-methylphenyl)methanone
PubChem CID84559294
Molecular FormulaC21H22N2O
Molecular Weight318.42 g/mol
Exact Mass318.17
IUPAC Name[4-(1H-indol-3-yl)piperidin-1-yl]-(2-methylphenyl)methanone
SMILESCc1ccccc1C(=O)N1CCC(c2c[nH]c3ccccc23)CC1
InChIInChI=1S/C21H22N2O/c1-15-6-2-3-7-17(15)21(24)23-12-10-16(11-13-23)19-14-22-20-9-5-4-8-18(19)20/h2-9,14,16,22H,10-13H2,1H3
InChIKeyLWWVQCIYHLWIOJ-UHFFFAOYSA-N
XLogP4.50
TPSA36.10 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds2
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500318.42
LogP ≤ 54.50
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

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Related Compounds

[3-(1H-indol-3-yl)pyrrolidin-1-yl]-(2-methylphenyl)methanone
CID 70686769
[4-(1H-indol-3-yl)piperidin-1-yl]-(2-methoxyphenyl)methanone
CID 84559095
[4-(1H-indol-3-yl)piperidin-1-yl]-(2-phenoxy-3-pyridinyl)methanone
CID 24646101
(2-bromophenyl)-[3-(1H-indol-3-yl)pyrrolidin-1-yl]methanone
CID 113087743
[3-(1H-indol-3-yl)pyrrolidin-1-yl]-(2-methoxyphenyl)methanone
CID 110711026
[4-(1H-indol-3-yl)piperidin-1-yl]-pyridin-2-ylmethanone
CID 122190657
(4-bromophenyl)-[4-(1H-indol-3-yl)piperidin-1-yl]methanone
CID 84558962
(2-ethoxy-6-methyl-3-pyridinyl)-[4-(1H-indol-3-yl)piperidin-1-yl]methanone
CID 119047088
[2-(difluoromethoxy)-3-methoxyphenyl]-[4-(1H-indol-3-yl)piperidin-1-yl]methanone
CID 55510978
1-[4-(1H-indol-3-yl)piperidin-1-yl]-2,2-diphenylethanone
CID 5152696
[5-(4-fluorophenyl)-1H-pyrazol-4-yl]-[4-(1H-indol-3-yl)piperidin-1-yl]methanone
CID 24599169
3-[1-(2-methylphenyl)piperidin-4-yl]-1H-indole
CID 91802123

Frequently Asked Questions

What is the IUPAC name of [4-(1H-indol-3-yl)piperidin-1-yl]-(2-methylphenyl)methanone?
The IUPAC name of [4-(1H-indol-3-yl)piperidin-1-yl]-(2-methylphenyl)methanone (CID 84559294) is [4-(1H-indol-3-yl)piperidin-1-yl]-(2-methylphenyl)methanone.
What is the SMILES notation for [4-(1H-indol-3-yl)piperidin-1-yl]-(2-methylphenyl)methanone?
The canonical SMILES for [4-(1H-indol-3-yl)piperidin-1-yl]-(2-methylphenyl)methanone is Cc1ccccc1C(=O)N1CCC(c2c[nH]c3ccccc23)CC1.
What is the InChIKey of [4-(1H-indol-3-yl)piperidin-1-yl]-(2-methylphenyl)methanone?
The InChIKey is LWWVQCIYHLWIOJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H22N2O/c1-15-6-2-3-7-17(15)21(24)23-12-10-16(11-13-23)19-14-22-20-9-5-4-8-18(19)20/h2-9,14,16,22H,10-13H2,1H3.
What are the key properties of [4-(1H-indol-3-yl)piperidin-1-yl]-(2-methylphenyl)methanone?
[4-(1H-indol-3-yl)piperidin-1-yl]-(2-methylphenyl)methanone has a molecular weight of 318.42 g/mol, XLogP of 4.50, 2 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for [4-(1H-indol-3-yl)piperidin-1-yl]-(2-methylphenyl)methanone is sourced from PubChem (CID 84559294), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).