2-[4-(4-methyl-1H-indol-3-yl)-3,6-dihydro-2H-pyridin-1-yl]-1-morpholin-4-ylpropan-1-one

C21H27N3O2 — CID 42962426

IUPAC2-[4-(4-methyl-1H-indol-3-yl)-3,6-dihydro-2H-pyridin-1-yl]-1-morpholin-4-ylpropan-1-one
SMILESCc1cccc2[nH]cc(C3=CCN(C(C)C(=O)N4CCOCC4)CC3)c12
InChIInChI=1S/C21H27N3O2/c1-15-4-3-5-19-20(15)18(14-22-19)17-6-8-23(9-7-17)16(2)21(25)24-10-12-26-13-11-24/h3-6,14,16,22H,7-13H2,1-2H3
InChIKeyMMCMBDSHOZKKPI-UHFFFAOYSA-N
MW353.47 g/mol
LogP2.81
Rot. Bonds3

About 2-[4-(4-methyl-1H-indol-3-yl)-3,6-dihydro-2H-pyridin-1-yl]-1-morpholin-4-ylpropan-1-one

2-[4-(4-methyl-1H-indol-3-yl)-3,6-dihydro-2H-pyridin-1-yl]-1-morpholin-4-ylpropan-1-one (PubChem CID 42962426) has the molecular formula C21H27N3O2 and a molecular weight of 353.47 g/mol. Its IUPAC name is 2-[4-(4-methyl-1H-indol-3-yl)-3,6-dihydro-2H-pyridin-1-yl]-1-morpholin-4-ylpropan-1-one.

Molecular Properties

Compound Name2-[4-(4-methyl-1H-indol-3-yl)-3,6-dihydro-2H-pyridin-1-yl]-1-morpholin-4-ylpropan-1-one
PubChem CID42962426
Molecular FormulaC21H27N3O2
Molecular Weight353.47 g/mol
Exact Mass353.21
IUPAC Name2-[4-(4-methyl-1H-indol-3-yl)-3,6-dihydro-2H-pyridin-1-yl]-1-morpholin-4-ylpropan-1-one
SMILESCc1cccc2[nH]cc(C3=CCN(C(C)C(=O)N4CCOCC4)CC3)c12
InChIInChI=1S/C21H27N3O2/c1-15-4-3-5-19-20(15)18(14-22-19)17-6-8-23(9-7-17)16(2)21(25)24-10-12-26-13-11-24/h3-6,14,16,22H,7-13H2,1-2H3
InChIKeyMMCMBDSHOZKKPI-UHFFFAOYSA-N
XLogP2.81
TPSA48.57 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500353.47
LogP ≤ 52.81
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 2-[4-(4-methyl-1H-indol-3-yl)-3,6-dihydro-2H-pyridin-1-yl]-1-morpholin-4-ylpropan-1-one?
The IUPAC name of 2-[4-(4-methyl-1H-indol-3-yl)-3,6-dihydro-2H-pyridin-1-yl]-1-morpholin-4-ylpropan-1-one (CID 42962426) is 2-[4-(4-methyl-1H-indol-3-yl)-3,6-dihydro-2H-pyridin-1-yl]-1-morpholin-4-ylpropan-1-one.
What is the SMILES notation for 2-[4-(4-methyl-1H-indol-3-yl)-3,6-dihydro-2H-pyridin-1-yl]-1-morpholin-4-ylpropan-1-one?
The canonical SMILES for 2-[4-(4-methyl-1H-indol-3-yl)-3,6-dihydro-2H-pyridin-1-yl]-1-morpholin-4-ylpropan-1-one is Cc1cccc2[nH]cc(C3=CCN(C(C)C(=O)N4CCOCC4)CC3)c12.
What is the InChIKey of 2-[4-(4-methyl-1H-indol-3-yl)-3,6-dihydro-2H-pyridin-1-yl]-1-morpholin-4-ylpropan-1-one?
The InChIKey is MMCMBDSHOZKKPI-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H27N3O2/c1-15-4-3-5-19-20(15)18(14-22-19)17-6-8-23(9-7-17)16(2)21(25)24-10-12-26-13-11-24/h3-6,14,16,22H,7-13H2,1-2H3.
What are the key properties of 2-[4-(4-methyl-1H-indol-3-yl)-3,6-dihydro-2H-pyridin-1-yl]-1-morpholin-4-ylpropan-1-one?
2-[4-(4-methyl-1H-indol-3-yl)-3,6-dihydro-2H-pyridin-1-yl]-1-morpholin-4-ylpropan-1-one has a molecular weight of 353.47 g/mol, XLogP of 2.81, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[4-(4-methyl-1H-indol-3-yl)-3,6-dihydro-2H-pyridin-1-yl]-1-morpholin-4-ylpropan-1-one is sourced from PubChem (CID 42962426), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).