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

C14H18N2O2 — CID 63565455

IUPAC3,4-dihydro-2H-chromen-3-yl(piperazin-1-yl)methanone
SMILESO=C(C1COc2ccccc2C1)N1CCNCC1
InChIInChI=1S/C14H18N2O2/c17-14(16-7-5-15-6-8-16)12-9-11-3-1-2-4-13(11)18-10-12/h1-4,12,15H,5-10H2
InChIKeyKEODCZSQSZDFTN-UHFFFAOYSA-N
MW246.31 g/mol
LogP0.67
Rot. Bonds1

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

3,4-dihydro-2H-chromen-3-yl(piperazin-1-yl)methanone (PubChem CID 63565455) has the molecular formula C14H18N2O2 and a molecular weight of 246.31 g/mol. Its IUPAC name is 3,4-dihydro-2H-chromen-3-yl(piperazin-1-yl)methanone.

Molecular Properties

Compound Name3,4-dihydro-2H-chromen-3-yl(piperazin-1-yl)methanone
PubChem CID63565455
Molecular FormulaC14H18N2O2
Molecular Weight246.31 g/mol
Exact Mass246.14
IUPAC Name3,4-dihydro-2H-chromen-3-yl(piperazin-1-yl)methanone
SMILESO=C(C1COc2ccccc2C1)N1CCNCC1
InChIInChI=1S/C14H18N2O2/c17-14(16-7-5-15-6-8-16)12-9-11-3-1-2-4-13(11)18-10-12/h1-4,12,15H,5-10H2
InChIKeyKEODCZSQSZDFTN-UHFFFAOYSA-N
XLogP0.67
TPSA41.57 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds1
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500246.31
LogP ≤ 50.67
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

[(3R)-3,4-dihydro-2H-chromen-3-yl]-morpholin-4-ylmethanone
CID 26794764
(4-benzoylpiperazin-1-yl)-[(3S)-3,4-dihydro-2H-chromen-3-yl]methanone
CID 51925423
3,4-dihydro-2H-chromen-3-yl-[4-(2-hydroxyphenyl)piperazin-1-yl]methanone
CID 134022339
3,4-dihydro-2H-chromen-3-yl-[4-(4-fluorophenyl)piperazin-1-yl]methanone
CID 22578090
3,4-dihydro-2H-chromen-3-yl-(4-piperidin-1-ylpiperidin-1-yl)methanone
CID 22578087
[(3R)-3,4-dihydro-2H-chromen-3-yl]-(4-pyridin-4-ylpiperazin-1-yl)methanone
CID 95375095
3,4-dihydro-2H-chromen-3-yl-[4-(methylaminomethyl)piperidin-1-yl]methanone
CID 63589640
2,3-dihydro-1-benzofuran-2-yl(piperazin-1-yl)methanone;hydrochloride
CID 119402574
(3R)-1-(3,4-dihydro-2H-chromene-3-carbonyl)piperidine-3-carboxylic acid
CID 81126614
3,4-dihydro-2H-chromen-3-yl-(3-hydroxy-4-methylpiperidin-1-yl)methanone
CID 103900916
3,4-dihydro-2H-chromen-3-yl-[4-(4-methoxyphenyl)piperazin-1-yl]methanone
CID 18093513
[(3R)-3,4-dihydro-2H-chromen-3-yl]-(4-pyridin-3-ylpiperazin-1-yl)methanone
CID 97137307

Frequently Asked Questions

What is the IUPAC name of 3,4-dihydro-2H-chromen-3-yl(piperazin-1-yl)methanone?
The IUPAC name of 3,4-dihydro-2H-chromen-3-yl(piperazin-1-yl)methanone (CID 63565455) is 3,4-dihydro-2H-chromen-3-yl(piperazin-1-yl)methanone.
What is the SMILES notation for 3,4-dihydro-2H-chromen-3-yl(piperazin-1-yl)methanone?
The canonical SMILES for 3,4-dihydro-2H-chromen-3-yl(piperazin-1-yl)methanone is O=C(C1COc2ccccc2C1)N1CCNCC1.
What is the InChIKey of 3,4-dihydro-2H-chromen-3-yl(piperazin-1-yl)methanone?
The InChIKey is KEODCZSQSZDFTN-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H18N2O2/c17-14(16-7-5-15-6-8-16)12-9-11-3-1-2-4-13(11)18-10-12/h1-4,12,15H,5-10H2.
What are the key properties of 3,4-dihydro-2H-chromen-3-yl(piperazin-1-yl)methanone?
3,4-dihydro-2H-chromen-3-yl(piperazin-1-yl)methanone has a molecular weight of 246.31 g/mol, XLogP of 0.67, 1 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3,4-dihydro-2H-chromen-3-yl(piperazin-1-yl)methanone is sourced from PubChem (CID 63565455), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).