3,4-dihydro-2H-chromen-3-yl-(4-ethylpiperazin-1-yl)methanone

C16H22N2O2 — CID 22578092

IUPAC3,4-dihydro-2H-chromen-3-yl-(4-ethylpiperazin-1-yl)methanone
SMILESCCN1CCN(C(=O)C2COc3ccccc3C2)CC1
InChIInChI=1S/C16H22N2O2/c1-2-17-7-9-18(10-8-17)16(19)14-11-13-5-3-4-6-15(13)20-12-14/h3-6,14H,2,7-12H2,1H3
InChIKeyXVIYVNITRVBYRO-UHFFFAOYSA-N
MW274.36 g/mol
LogP1.40
Rot. Bonds2

About 3,4-dihydro-2H-chromen-3-yl-(4-ethylpiperazin-1-yl)methanone

3,4-dihydro-2H-chromen-3-yl-(4-ethylpiperazin-1-yl)methanone (PubChem CID 22578092) has the molecular formula C16H22N2O2 and a molecular weight of 274.36 g/mol. Its IUPAC name is 3,4-dihydro-2H-chromen-3-yl-(4-ethylpiperazin-1-yl)methanone.

Molecular Properties

Compound Name3,4-dihydro-2H-chromen-3-yl-(4-ethylpiperazin-1-yl)methanone
PubChem CID22578092
Molecular FormulaC16H22N2O2
Molecular Weight274.36 g/mol
Exact Mass274.17
IUPAC Name3,4-dihydro-2H-chromen-3-yl-(4-ethylpiperazin-1-yl)methanone
SMILESCCN1CCN(C(=O)C2COc3ccccc3C2)CC1
InChIInChI=1S/C16H22N2O2/c1-2-17-7-9-18(10-8-17)16(19)14-11-13-5-3-4-6-15(13)20-12-14/h3-6,14H,2,7-12H2,1H3
InChIKeyXVIYVNITRVBYRO-UHFFFAOYSA-N
XLogP1.40
TPSA32.78 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500274.36
LogP ≤ 51.40
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 3,4-dihydro-2H-chromen-3-yl-(4-ethylpiperazin-1-yl)methanone?
The IUPAC name of 3,4-dihydro-2H-chromen-3-yl-(4-ethylpiperazin-1-yl)methanone (CID 22578092) is 3,4-dihydro-2H-chromen-3-yl-(4-ethylpiperazin-1-yl)methanone.
What is the SMILES notation for 3,4-dihydro-2H-chromen-3-yl-(4-ethylpiperazin-1-yl)methanone?
The canonical SMILES for 3,4-dihydro-2H-chromen-3-yl-(4-ethylpiperazin-1-yl)methanone is CCN1CCN(C(=O)C2COc3ccccc3C2)CC1.
What is the InChIKey of 3,4-dihydro-2H-chromen-3-yl-(4-ethylpiperazin-1-yl)methanone?
The InChIKey is XVIYVNITRVBYRO-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H22N2O2/c1-2-17-7-9-18(10-8-17)16(19)14-11-13-5-3-4-6-15(13)20-12-14/h3-6,14H,2,7-12H2,1H3.
What are the key properties of 3,4-dihydro-2H-chromen-3-yl-(4-ethylpiperazin-1-yl)methanone?
3,4-dihydro-2H-chromen-3-yl-(4-ethylpiperazin-1-yl)methanone has a molecular weight of 274.36 g/mol, XLogP of 1.40, 2 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3,4-dihydro-2H-chromen-3-yl-(4-ethylpiperazin-1-yl)methanone is sourced from PubChem (CID 22578092), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).