5-(3,4-dihydro-1H-isochromen-4-ylamino)piperidin-2-one

C14H18N2O2 — CID 107149372

IUPAC5-(3,4-dihydro-1H-isochromen-4-ylamino)piperidin-2-one
SMILESO=C1CCC(NC2COCc3ccccc32)CN1
InChIInChI=1S/C14H18N2O2/c17-14-6-5-11(7-15-14)16-13-9-18-8-10-3-1-2-4-12(10)13/h1-4,11,13,16H,5-9H2,(H,15,17)
InChIKeyMPHROXYAONVWHQ-UHFFFAOYSA-N
MW246.31 g/mol
LogP1.13
Rot. Bonds2

About 5-(3,4-dihydro-1H-isochromen-4-ylamino)piperidin-2-one

5-(3,4-dihydro-1H-isochromen-4-ylamino)piperidin-2-one (PubChem CID 107149372) has the molecular formula C14H18N2O2 and a molecular weight of 246.31 g/mol. Its IUPAC name is 5-(3,4-dihydro-1H-isochromen-4-ylamino)piperidin-2-one.

Molecular Properties

Compound Name5-(3,4-dihydro-1H-isochromen-4-ylamino)piperidin-2-one
PubChem CID107149372
Molecular FormulaC14H18N2O2
Molecular Weight246.31 g/mol
Exact Mass246.14
IUPAC Name5-(3,4-dihydro-1H-isochromen-4-ylamino)piperidin-2-one
SMILESO=C1CCC(NC2COCc3ccccc32)CN1
InChIInChI=1S/C14H18N2O2/c17-14-6-5-11(7-15-14)16-13-9-18-8-10-3-1-2-4-12(10)13/h1-4,11,13,16H,5-9H2,(H,15,17)
InChIKeyMPHROXYAONVWHQ-UHFFFAOYSA-N
XLogP1.13
TPSA50.36 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500246.31
LogP ≤ 51.13
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 5-(3,4-dihydro-1H-isochromen-4-ylamino)piperidin-2-one?
The IUPAC name of 5-(3,4-dihydro-1H-isochromen-4-ylamino)piperidin-2-one (CID 107149372) is 5-(3,4-dihydro-1H-isochromen-4-ylamino)piperidin-2-one.
What is the SMILES notation for 5-(3,4-dihydro-1H-isochromen-4-ylamino)piperidin-2-one?
The canonical SMILES for 5-(3,4-dihydro-1H-isochromen-4-ylamino)piperidin-2-one is O=C1CCC(NC2COCc3ccccc32)CN1.
What is the InChIKey of 5-(3,4-dihydro-1H-isochromen-4-ylamino)piperidin-2-one?
The InChIKey is MPHROXYAONVWHQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H18N2O2/c17-14-6-5-11(7-15-14)16-13-9-18-8-10-3-1-2-4-12(10)13/h1-4,11,13,16H,5-9H2,(H,15,17).
What are the key properties of 5-(3,4-dihydro-1H-isochromen-4-ylamino)piperidin-2-one?
5-(3,4-dihydro-1H-isochromen-4-ylamino)piperidin-2-one has a molecular weight of 246.31 g/mol, XLogP of 1.13, 2 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 5-(3,4-dihydro-1H-isochromen-4-ylamino)piperidin-2-one is sourced from PubChem (CID 107149372), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).