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

C16H22N2O2 — CID 110647806

IUPAC3,4-dihydro-2H-chromen-4-yl-(4-ethylpiperazin-1-yl)methanone
SMILESCCN1CCN(C(=O)C2CCOc3ccccc32)CC1
InChIInChI=1S/C16H22N2O2/c1-2-17-8-10-18(11-9-17)16(19)14-7-12-20-15-6-4-3-5-13(14)15/h3-6,14H,2,7-12H2,1H3
InChIKeyHTSFBESEOWUFGN-UHFFFAOYSA-N
MW274.36 g/mol
LogP1.72
Rot. Bonds2

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

3,4-dihydro-2H-chromen-4-yl-(4-ethylpiperazin-1-yl)methanone (PubChem CID 110647806) has the molecular formula C16H22N2O2 and a molecular weight of 274.36 g/mol. Its IUPAC name is 3,4-dihydro-2H-chromen-4-yl-(4-ethylpiperazin-1-yl)methanone.

Molecular Properties

Compound Name3,4-dihydro-2H-chromen-4-yl-(4-ethylpiperazin-1-yl)methanone
PubChem CID110647806
Molecular FormulaC16H22N2O2
Molecular Weight274.36 g/mol
Exact Mass274.17
IUPAC Name3,4-dihydro-2H-chromen-4-yl-(4-ethylpiperazin-1-yl)methanone
SMILESCCN1CCN(C(=O)C2CCOc3ccccc32)CC1
InChIInChI=1S/C16H22N2O2/c1-2-17-8-10-18(11-9-17)16(19)14-7-12-20-15-6-4-3-5-13(14)15/h3-6,14H,2,7-12H2,1H3
InChIKeyHTSFBESEOWUFGN-UHFFFAOYSA-N
XLogP1.72
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 ≤ 51.72
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Related Compounds

[4-(bromomethyl)piperidin-1-yl]-(3,4-dihydro-2H-chromen-4-yl)methanone
CID 80678666
3,4-dihydro-2H-chromen-4-yl-[4-(methylaminomethyl)piperidin-1-yl]methanone
CID 63710835
[1-(3,4-dihydro-2H-chromene-4-carbonyl)piperidin-4-yl] hypofluorite
CID 134242940
[(4R)-3,4-dihydro-2H-chromen-4-yl]-[4-(4-ethyl-1,2,4-triazol-3-yl)piperidin-1-yl]methanone
CID 95338732
[(3R)-3-aminopyrrolidin-1-yl]-(3,4-dihydro-2H-chromen-4-yl)methanone
CID 81468969
[3-(aminomethyl)pyrrolidin-1-yl]-(3,4-dihydro-2H-chromen-4-yl)methanone
CID 55228016
2-[4-(3,4-dihydro-2H-chromene-4-carbonyl)piperazin-1-yl]benzonitrile
CID 122136948
[(4R)-3,4-dihydro-2H-chromen-4-yl]-[(3S)-3-(methylaminomethyl)pyrrolidin-1-yl]methanone
CID 124556473
2-[1-(3,4-dihydro-2H-chromene-4-carbonyl)azetidin-3-yl]propanoic acid
CID 116680981
3,4-dihydro-2H-chromen-4-yl-[3-(2-hydroxyethyl)pyrrolidin-1-yl]methanone
CID 115746703
6-(3,4-dihydro-2H-chromene-4-carbonyl)-6-azaspiro[2.5]octane-2-carboxylic acid
CID 119175341
(3-amino-4-methylpyrrolidin-1-yl)-(3,4-dihydro-2H-chromen-4-yl)methanone
CID 103575894

Frequently Asked Questions

What is the IUPAC name of 3,4-dihydro-2H-chromen-4-yl-(4-ethylpiperazin-1-yl)methanone?
The IUPAC name of 3,4-dihydro-2H-chromen-4-yl-(4-ethylpiperazin-1-yl)methanone (CID 110647806) is 3,4-dihydro-2H-chromen-4-yl-(4-ethylpiperazin-1-yl)methanone.
What is the SMILES notation for 3,4-dihydro-2H-chromen-4-yl-(4-ethylpiperazin-1-yl)methanone?
The canonical SMILES for 3,4-dihydro-2H-chromen-4-yl-(4-ethylpiperazin-1-yl)methanone is CCN1CCN(C(=O)C2CCOc3ccccc32)CC1.
What is the InChIKey of 3,4-dihydro-2H-chromen-4-yl-(4-ethylpiperazin-1-yl)methanone?
The InChIKey is HTSFBESEOWUFGN-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H22N2O2/c1-2-17-8-10-18(11-9-17)16(19)14-7-12-20-15-6-4-3-5-13(14)15/h3-6,14H,2,7-12H2,1H3.
What are the key properties of 3,4-dihydro-2H-chromen-4-yl-(4-ethylpiperazin-1-yl)methanone?
3,4-dihydro-2H-chromen-4-yl-(4-ethylpiperazin-1-yl)methanone has a molecular weight of 274.36 g/mol, XLogP of 1.72, 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-4-yl-(4-ethylpiperazin-1-yl)methanone is sourced from PubChem (CID 110647806), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).