1-(2,3-dihydro-1H-indol-5-yl)-3-[1-[(3-methylphenyl)methyl]piperidin-4-yl]propan-1-one

C24H30N2O — CID 10451317

IUPAC1-(2,3-dihydro-1H-indol-5-yl)-3-[1-[(3-methylphenyl)methyl]piperidin-4-yl]propan-1-one
SMILESCc1cccc(CN2CCC(CCC(=O)c3ccc4c(c3)CCN4)CC2)c1
InChIInChI=1S/C24H30N2O/c1-18-3-2-4-20(15-18)17-26-13-10-19(11-14-26)5-8-24(27)22-6-7-23-21(16-22)9-12-25-23/h2-4,6-7,15-16,19,25H,5,8-14,17H2,1H3
InChIKeyHANOAHGFQIRMPT-UHFFFAOYSA-N
MW362.52 g/mol
LogP4.84
Rot. Bonds6

About 1-(2,3-dihydro-1H-indol-5-yl)-3-[1-[(3-methylphenyl)methyl]piperidin-4-yl]propan-1-one

1-(2,3-dihydro-1H-indol-5-yl)-3-[1-[(3-methylphenyl)methyl]piperidin-4-yl]propan-1-one (PubChem CID 10451317) has the molecular formula C24H30N2O and a molecular weight of 362.52 g/mol. Its IUPAC name is 1-(2,3-dihydro-1H-indol-5-yl)-3-[1-[(3-methylphenyl)methyl]piperidin-4-yl]propan-1-one.

Molecular Properties

Compound Name1-(2,3-dihydro-1H-indol-5-yl)-3-[1-[(3-methylphenyl)methyl]piperidin-4-yl]propan-1-one
PubChem CID10451317
Molecular FormulaC24H30N2O
Molecular Weight362.52 g/mol
Exact Mass362.24
IUPAC Name1-(2,3-dihydro-1H-indol-5-yl)-3-[1-[(3-methylphenyl)methyl]piperidin-4-yl]propan-1-one
SMILESCc1cccc(CN2CCC(CCC(=O)c3ccc4c(c3)CCN4)CC2)c1
InChIInChI=1S/C24H30N2O/c1-18-3-2-4-20(15-18)17-26-13-10-19(11-14-26)5-8-24(27)22-6-7-23-21(16-22)9-12-25-23/h2-4,6-7,15-16,19,25H,5,8-14,17H2,1H3
InChIKeyHANOAHGFQIRMPT-UHFFFAOYSA-N
XLogP4.84
TPSA32.34 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500362.52
LogP ≤ 54.84
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 1-(2,3-dihydro-1H-indol-5-yl)-3-[1-[(3-methylphenyl)methyl]piperidin-4-yl]propan-1-one?
The IUPAC name of 1-(2,3-dihydro-1H-indol-5-yl)-3-[1-[(3-methylphenyl)methyl]piperidin-4-yl]propan-1-one (CID 10451317) is 1-(2,3-dihydro-1H-indol-5-yl)-3-[1-[(3-methylphenyl)methyl]piperidin-4-yl]propan-1-one.
What is the SMILES notation for 1-(2,3-dihydro-1H-indol-5-yl)-3-[1-[(3-methylphenyl)methyl]piperidin-4-yl]propan-1-one?
The canonical SMILES for 1-(2,3-dihydro-1H-indol-5-yl)-3-[1-[(3-methylphenyl)methyl]piperidin-4-yl]propan-1-one is Cc1cccc(CN2CCC(CCC(=O)c3ccc4c(c3)CCN4)CC2)c1.
What is the InChIKey of 1-(2,3-dihydro-1H-indol-5-yl)-3-[1-[(3-methylphenyl)methyl]piperidin-4-yl]propan-1-one?
The InChIKey is HANOAHGFQIRMPT-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H30N2O/c1-18-3-2-4-20(15-18)17-26-13-10-19(11-14-26)5-8-24(27)22-6-7-23-21(16-22)9-12-25-23/h2-4,6-7,15-16,19,25H,5,8-14,17H2,1H3.
What are the key properties of 1-(2,3-dihydro-1H-indol-5-yl)-3-[1-[(3-methylphenyl)methyl]piperidin-4-yl]propan-1-one?
1-(2,3-dihydro-1H-indol-5-yl)-3-[1-[(3-methylphenyl)methyl]piperidin-4-yl]propan-1-one has a molecular weight of 362.52 g/mol, XLogP of 4.84, 6 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(2,3-dihydro-1H-indol-5-yl)-3-[1-[(3-methylphenyl)methyl]piperidin-4-yl]propan-1-one is sourced from PubChem (CID 10451317), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).