1-[4-(1-methylindol-3-yl)-3,6-dihydro-2H-pyridin-1-yl]-2-phenylethanone

C22H22N2O — CID 113086734

IUPAC1-[4-(1-methylindol-3-yl)-3,6-dihydro-2H-pyridin-1-yl]-2-phenylethanone
SMILESCn1cc(C2=CCN(C(=O)Cc3ccccc3)CC2)c2ccccc21
InChIInChI=1S/C22H22N2O/c1-23-16-20(19-9-5-6-10-21(19)23)18-11-13-24(14-12-18)22(25)15-17-7-3-2-4-8-17/h2-11,16H,12-15H2,1H3
InChIKeyHUKONQJBVNJASH-UHFFFAOYSA-N
MW330.43 g/mol
LogP4.04
Rot. Bonds3

About 1-[4-(1-methylindol-3-yl)-3,6-dihydro-2H-pyridin-1-yl]-2-phenylethanone

1-[4-(1-methylindol-3-yl)-3,6-dihydro-2H-pyridin-1-yl]-2-phenylethanone (PubChem CID 113086734) has the molecular formula C22H22N2O and a molecular weight of 330.43 g/mol. Its IUPAC name is 1-[4-(1-methylindol-3-yl)-3,6-dihydro-2H-pyridin-1-yl]-2-phenylethanone.

Molecular Properties

Compound Name1-[4-(1-methylindol-3-yl)-3,6-dihydro-2H-pyridin-1-yl]-2-phenylethanone
PubChem CID113086734
Molecular FormulaC22H22N2O
Molecular Weight330.43 g/mol
Exact Mass330.17
IUPAC Name1-[4-(1-methylindol-3-yl)-3,6-dihydro-2H-pyridin-1-yl]-2-phenylethanone
SMILESCn1cc(C2=CCN(C(=O)Cc3ccccc3)CC2)c2ccccc21
InChIInChI=1S/C22H22N2O/c1-23-16-20(19-9-5-6-10-21(19)23)18-11-13-24(14-12-18)22(25)15-17-7-3-2-4-8-17/h2-11,16H,12-15H2,1H3
InChIKeyHUKONQJBVNJASH-UHFFFAOYSA-N
XLogP4.04
TPSA25.24 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500330.43
LogP ≤ 54.04
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 1-[4-(1-methylindol-3-yl)-3,6-dihydro-2H-pyridin-1-yl]-2-phenylethanone?
The IUPAC name of 1-[4-(1-methylindol-3-yl)-3,6-dihydro-2H-pyridin-1-yl]-2-phenylethanone (CID 113086734) is 1-[4-(1-methylindol-3-yl)-3,6-dihydro-2H-pyridin-1-yl]-2-phenylethanone.
What is the SMILES notation for 1-[4-(1-methylindol-3-yl)-3,6-dihydro-2H-pyridin-1-yl]-2-phenylethanone?
The canonical SMILES for 1-[4-(1-methylindol-3-yl)-3,6-dihydro-2H-pyridin-1-yl]-2-phenylethanone is Cn1cc(C2=CCN(C(=O)Cc3ccccc3)CC2)c2ccccc21.
What is the InChIKey of 1-[4-(1-methylindol-3-yl)-3,6-dihydro-2H-pyridin-1-yl]-2-phenylethanone?
The InChIKey is HUKONQJBVNJASH-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H22N2O/c1-23-16-20(19-9-5-6-10-21(19)23)18-11-13-24(14-12-18)22(25)15-17-7-3-2-4-8-17/h2-11,16H,12-15H2,1H3.
What are the key properties of 1-[4-(1-methylindol-3-yl)-3,6-dihydro-2H-pyridin-1-yl]-2-phenylethanone?
1-[4-(1-methylindol-3-yl)-3,6-dihydro-2H-pyridin-1-yl]-2-phenylethanone has a molecular weight of 330.43 g/mol, XLogP of 4.04, 3 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[4-(1-methylindol-3-yl)-3,6-dihydro-2H-pyridin-1-yl]-2-phenylethanone is sourced from PubChem (CID 113086734), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).