4-amino-3-(piperidin-1-ylmethyl)chromen-2-one

C15H18N2O2 — CID 2754629

IUPAC4-amino-3-(piperidin-1-ylmethyl)chromen-2-one
SMILESNc1c(CN2CCCCC2)c(=O)oc2ccccc12
InChIInChI=1S/C15H18N2O2/c16-14-11-6-2-3-7-13(11)19-15(18)12(14)10-17-8-4-1-5-9-17/h2-3,6-7H,1,4-5,8-10,16H2
InChIKeyIWNUVOZPGFTFBW-UHFFFAOYSA-N
MW258.32 g/mol
LogP2.36
Rot. Bonds2

About 4-amino-3-(piperidin-1-ylmethyl)chromen-2-one

4-amino-3-(piperidin-1-ylmethyl)chromen-2-one (PubChem CID 2754629) has the molecular formula C15H18N2O2 and a molecular weight of 258.32 g/mol. Its IUPAC name is 4-amino-3-(piperidin-1-ylmethyl)chromen-2-one.

Molecular Properties

Compound Name4-amino-3-(piperidin-1-ylmethyl)chromen-2-one
PubChem CID2754629
Molecular FormulaC15H18N2O2
Molecular Weight258.32 g/mol
Exact Mass258.14
IUPAC Name4-amino-3-(piperidin-1-ylmethyl)chromen-2-one
SMILESNc1c(CN2CCCCC2)c(=O)oc2ccccc12
InChIInChI=1S/C15H18N2O2/c16-14-11-6-2-3-7-13(11)19-15(18)12(14)10-17-8-4-1-5-9-17/h2-3,6-7H,1,4-5,8-10,16H2
InChIKeyIWNUVOZPGFTFBW-UHFFFAOYSA-N
XLogP2.36
TPSA59.47 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500258.32
LogP ≤ 52.36
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'cumarine', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of 4-amino-3-(piperidin-1-ylmethyl)chromen-2-one?
The IUPAC name of 4-amino-3-(piperidin-1-ylmethyl)chromen-2-one (CID 2754629) is 4-amino-3-(piperidin-1-ylmethyl)chromen-2-one.
What is the SMILES notation for 4-amino-3-(piperidin-1-ylmethyl)chromen-2-one?
The canonical SMILES for 4-amino-3-(piperidin-1-ylmethyl)chromen-2-one is Nc1c(CN2CCCCC2)c(=O)oc2ccccc12.
What is the InChIKey of 4-amino-3-(piperidin-1-ylmethyl)chromen-2-one?
The InChIKey is IWNUVOZPGFTFBW-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H18N2O2/c16-14-11-6-2-3-7-13(11)19-15(18)12(14)10-17-8-4-1-5-9-17/h2-3,6-7H,1,4-5,8-10,16H2.
What are the key properties of 4-amino-3-(piperidin-1-ylmethyl)chromen-2-one?
4-amino-3-(piperidin-1-ylmethyl)chromen-2-one has a molecular weight of 258.32 g/mol, XLogP of 2.36, 2 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-amino-3-(piperidin-1-ylmethyl)chromen-2-one is sourced from PubChem (CID 2754629), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).