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

C19H25ClN2O2 — CID 21151935

IUPAC1-(3,4-dihydro-1H-[1]benzofuro[3,2-c]pyridin-2-yl)-2-piperidin-3-ylpropan-1-one;hydrochloride
SMILESCC(C(=O)N1CCc2oc3ccccc3c2C1)C1CCCNC1.Cl
InChIInChI=1S/C19H24N2O2.ClH/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;1H
InChIKeyRRJRZFOEOGJUER-UHFFFAOYSA-N
MW348.87 g/mol
LogP3.38
Rot. Bonds2

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

1-(3,4-dihydro-1H-[1]benzofuro[3,2-c]pyridin-2-yl)-2-piperidin-3-ylpropan-1-one;hydrochloride (PubChem CID 21151935) has the molecular formula C19H25ClN2O2 and a molecular weight of 348.87 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;hydrochloride.

Molecular Properties

Compound Name1-(3,4-dihydro-1H-[1]benzofuro[3,2-c]pyridin-2-yl)-2-piperidin-3-ylpropan-1-one;hydrochloride
PubChem CID21151935
Molecular FormulaC19H25ClN2O2
Molecular Weight348.87 g/mol
Exact Mass348.16
IUPAC Name1-(3,4-dihydro-1H-[1]benzofuro[3,2-c]pyridin-2-yl)-2-piperidin-3-ylpropan-1-one;hydrochloride
SMILESCC(C(=O)N1CCc2oc3ccccc3c2C1)C1CCCNC1.Cl
InChIInChI=1S/C19H24N2O2.ClH/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;1H
InChIKeyRRJRZFOEOGJUER-UHFFFAOYSA-N
XLogP3.38
TPSA45.48 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500348.87
LogP ≤ 53.38
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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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;hydrochloride?
The IUPAC name of 1-(3,4-dihydro-1H-[1]benzofuro[3,2-c]pyridin-2-yl)-2-piperidin-3-ylpropan-1-one;hydrochloride (CID 21151935) is 1-(3,4-dihydro-1H-[1]benzofuro[3,2-c]pyridin-2-yl)-2-piperidin-3-ylpropan-1-one;hydrochloride.
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;hydrochloride?
The canonical SMILES for 1-(3,4-dihydro-1H-[1]benzofuro[3,2-c]pyridin-2-yl)-2-piperidin-3-ylpropan-1-one;hydrochloride is CC(C(=O)N1CCc2oc3ccccc3c2C1)C1CCCNC1.Cl.
What is the InChIKey of 1-(3,4-dihydro-1H-[1]benzofuro[3,2-c]pyridin-2-yl)-2-piperidin-3-ylpropan-1-one;hydrochloride?
The InChIKey is RRJRZFOEOGJUER-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H24N2O2.ClH/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;1H.
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;hydrochloride?
1-(3,4-dihydro-1H-[1]benzofuro[3,2-c]pyridin-2-yl)-2-piperidin-3-ylpropan-1-one;hydrochloride has a molecular weight of 348.87 g/mol, XLogP of 3.38, 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;hydrochloride is sourced from PubChem (CID 21151935), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).