3-(4-hydroxypiperidine-1-carbonyl)-4-phenylisochromen-1-one

C21H19NO4 — CID 5307372

IUPAC3-(4-hydroxypiperidine-1-carbonyl)-4-phenylisochromen-1-one
SMILESO=C(c1oc(=O)c2ccccc2c1-c1ccccc1)N1CCC(O)CC1
InChIInChI=1S/C21H19NO4/c23-15-10-12-22(13-11-15)20(24)19-18(14-6-2-1-3-7-14)16-8-4-5-9-17(16)21(25)26-19/h1-9,15,23H,10-13H2
InChIKeyAFGHEWCYMKVLDH-UHFFFAOYSA-N
MW349.39 g/mol
LogP3.06
Rot. Bonds2

About 3-(4-hydroxypiperidine-1-carbonyl)-4-phenylisochromen-1-one

3-(4-hydroxypiperidine-1-carbonyl)-4-phenylisochromen-1-one (PubChem CID 5307372) has the molecular formula C21H19NO4 and a molecular weight of 349.39 g/mol. Its IUPAC name is 3-(4-hydroxypiperidine-1-carbonyl)-4-phenylisochromen-1-one.

Molecular Properties

Compound Name3-(4-hydroxypiperidine-1-carbonyl)-4-phenylisochromen-1-one
PubChem CID5307372
Molecular FormulaC21H19NO4
Molecular Weight349.39 g/mol
Exact Mass349.13
IUPAC Name3-(4-hydroxypiperidine-1-carbonyl)-4-phenylisochromen-1-one
SMILESO=C(c1oc(=O)c2ccccc2c1-c1ccccc1)N1CCC(O)CC1
InChIInChI=1S/C21H19NO4/c23-15-10-12-22(13-11-15)20(24)19-18(14-6-2-1-3-7-14)16-8-4-5-9-17(16)21(25)26-19/h1-9,15,23H,10-13H2
InChIKeyAFGHEWCYMKVLDH-UHFFFAOYSA-N
XLogP3.06
TPSA70.75 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500349.39
LogP ≤ 53.06
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 3-(4-hydroxypiperidine-1-carbonyl)-4-phenylisochromen-1-one?
The IUPAC name of 3-(4-hydroxypiperidine-1-carbonyl)-4-phenylisochromen-1-one (CID 5307372) is 3-(4-hydroxypiperidine-1-carbonyl)-4-phenylisochromen-1-one.
What is the SMILES notation for 3-(4-hydroxypiperidine-1-carbonyl)-4-phenylisochromen-1-one?
The canonical SMILES for 3-(4-hydroxypiperidine-1-carbonyl)-4-phenylisochromen-1-one is O=C(c1oc(=O)c2ccccc2c1-c1ccccc1)N1CCC(O)CC1.
What is the InChIKey of 3-(4-hydroxypiperidine-1-carbonyl)-4-phenylisochromen-1-one?
The InChIKey is AFGHEWCYMKVLDH-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H19NO4/c23-15-10-12-22(13-11-15)20(24)19-18(14-6-2-1-3-7-14)16-8-4-5-9-17(16)21(25)26-19/h1-9,15,23H,10-13H2.
What are the key properties of 3-(4-hydroxypiperidine-1-carbonyl)-4-phenylisochromen-1-one?
3-(4-hydroxypiperidine-1-carbonyl)-4-phenylisochromen-1-one has a molecular weight of 349.39 g/mol, XLogP of 3.06, 2 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(4-hydroxypiperidine-1-carbonyl)-4-phenylisochromen-1-one is sourced from PubChem (CID 5307372), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).