1-(3,4-dihydro-1H-[1]benzofuro[3,2-c]pyridin-2-yl)-2-piperidin-3-ylpropan-1-one

C19H24N2O2 — CID 21151936

IUPAC1-(3,4-dihydro-1H-[1]benzofuro[3,2-c]pyridin-2-yl)-2-piperidin-3-ylpropan-1-one
SMILESCC(C(=O)N1CCc2oc3ccccc3c2C1)C1CCCNC1
InChIInChI=1S/C19H24N2O2/c1-13(14-5-4-9-20-11-14)19(22)21-10-8-18-16(12-21)15-6-2-3-7-17(15)23-18/h2-3,6-7,13-14,20H,4-5,8-12H2,1H3
InChIKeyRBYZTUYAHYLHBV-UHFFFAOYSA-N
MW312.41 g/mol
LogP2.95
Rot. Bonds2

About 1-(3,4-dihydro-1H-[1]benzofuro[3,2-c]pyridin-2-yl)-2-piperidin-3-ylpropan-1-one

1-(3,4-dihydro-1H-[1]benzofuro[3,2-c]pyridin-2-yl)-2-piperidin-3-ylpropan-1-one (PubChem CID 21151936) has the molecular formula C19H24N2O2 and a molecular weight of 312.41 g/mol. Its IUPAC name is 1-(3,4-dihydro-1H-[1]benzofuro[3,2-c]pyridin-2-yl)-2-piperidin-3-ylpropan-1-one.

Molecular Properties

Compound Name1-(3,4-dihydro-1H-[1]benzofuro[3,2-c]pyridin-2-yl)-2-piperidin-3-ylpropan-1-one
PubChem CID21151936
Molecular FormulaC19H24N2O2
Molecular Weight312.41 g/mol
Exact Mass312.18
IUPAC Name1-(3,4-dihydro-1H-[1]benzofuro[3,2-c]pyridin-2-yl)-2-piperidin-3-ylpropan-1-one
SMILESCC(C(=O)N1CCc2oc3ccccc3c2C1)C1CCCNC1
InChIInChI=1S/C19H24N2O2/c1-13(14-5-4-9-20-11-14)19(22)21-10-8-18-16(12-21)15-6-2-3-7-17(15)23-18/h2-3,6-7,13-14,20H,4-5,8-12H2,1H3
InChIKeyRBYZTUYAHYLHBV-UHFFFAOYSA-N
XLogP2.95
TPSA45.48 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500312.41
LogP ≤ 52.95
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Analyze 1-(3,4-dihydro-1H-[1]benzofuro[3,2-c]pyridin-2-yl)-2-piperidin-3-ylpropan-1-one with MolForge

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Related Compounds

1-(3,4-dihydro-1H-[1]benzofuro[3,2-c]pyridin-2-yl)-2-piperidin-3-ylpropan-1-one;hydrochloride
CID 21151935
1-(2,5-diazabicyclo[2.2.2]octan-2-yl)-2-(3,4-dihydro-1H-[1]benzofuro[3,2-c]pyridin-2-yl)ethane-1,2-dione
CID 166274932
2-piperidin-3-yl-1-(1,3,4,5-tetrahydro-2-benzazepin-2-yl)ethanone
CID 63153568
2-iodo-3,4-dihydro-1H-[1]benzofuro[3,2-c]pyridine
CID 149450508
1-(6,8-dichloro-3,4-dihydro-1H-isoquinolin-2-yl)-3-piperidin-3-ylbutan-1-one;hydrochloride
CID 119813536
1-(4-benzyl-1,4-diazepan-1-yl)-3-piperidin-3-ylbutan-1-one
CID 119399409
1-(6,7-dihydro-4H-thieno[3,2-c]pyridin-5-yl)-3-piperidin-3-ylbutan-1-one;hydrochloride
CID 119700097
1-[2-(azetidin-3-yl)propanoyl]-1,4-diazepan-5-one
CID 116677784
1-naphthalen-1-yl-3-piperidin-3-ylbutan-1-one
CID 116594477
N-[1-(1-benzofuran-2-yl)ethyl]-N-methyl-3-piperidin-3-ylbutanamide
CID 119705070
3-cyclobutyl-1,2,4,5-tetrahydro-[1]benzofuro[2,3-d]azepine
CID 168943688
2-(azetidin-3-yl)-1-(4-phenylpiperazin-1-yl)propan-1-one
CID 116674439

Frequently Asked Questions

What is the IUPAC name of 1-(3,4-dihydro-1H-[1]benzofuro[3,2-c]pyridin-2-yl)-2-piperidin-3-ylpropan-1-one?
The IUPAC name of 1-(3,4-dihydro-1H-[1]benzofuro[3,2-c]pyridin-2-yl)-2-piperidin-3-ylpropan-1-one (CID 21151936) is 1-(3,4-dihydro-1H-[1]benzofuro[3,2-c]pyridin-2-yl)-2-piperidin-3-ylpropan-1-one.
What is the SMILES notation for 1-(3,4-dihydro-1H-[1]benzofuro[3,2-c]pyridin-2-yl)-2-piperidin-3-ylpropan-1-one?
The canonical SMILES for 1-(3,4-dihydro-1H-[1]benzofuro[3,2-c]pyridin-2-yl)-2-piperidin-3-ylpropan-1-one is CC(C(=O)N1CCc2oc3ccccc3c2C1)C1CCCNC1.
What is the InChIKey of 1-(3,4-dihydro-1H-[1]benzofuro[3,2-c]pyridin-2-yl)-2-piperidin-3-ylpropan-1-one?
The InChIKey is RBYZTUYAHYLHBV-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H24N2O2/c1-13(14-5-4-9-20-11-14)19(22)21-10-8-18-16(12-21)15-6-2-3-7-17(15)23-18/h2-3,6-7,13-14,20H,4-5,8-12H2,1H3.
What are the key properties of 1-(3,4-dihydro-1H-[1]benzofuro[3,2-c]pyridin-2-yl)-2-piperidin-3-ylpropan-1-one?
1-(3,4-dihydro-1H-[1]benzofuro[3,2-c]pyridin-2-yl)-2-piperidin-3-ylpropan-1-one has a molecular weight of 312.41 g/mol, XLogP of 2.95, 2 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(3,4-dihydro-1H-[1]benzofuro[3,2-c]pyridin-2-yl)-2-piperidin-3-ylpropan-1-one is sourced from PubChem (CID 21151936), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).