1-benzofuran-3-yl-[(2S)-2-methylpiperazin-1-yl]methanone

C14H16N2O2 — CID 82705753

IUPAC1-benzofuran-3-yl-[(2S)-2-methylpiperazin-1-yl]methanone
SMILESC[C@H]1CNCCN1C(=O)c1coc2ccccc12
InChIInChI=1S/C14H16N2O2/c1-10-8-15-6-7-16(10)14(17)12-9-18-13-5-3-2-4-11(12)13/h2-5,9-10,15H,6-8H2,1H3/t10-/m0/s1
InChIKeyMMUVOJOSVHSZKS-JTQLQIEISA-N
MW244.29 g/mol
LogP1.87
Rot. Bonds1

About 1-benzofuran-3-yl-[(2S)-2-methylpiperazin-1-yl]methanone

1-benzofuran-3-yl-[(2S)-2-methylpiperazin-1-yl]methanone (PubChem CID 82705753) has the molecular formula C14H16N2O2 and a molecular weight of 244.29 g/mol. Its IUPAC name is 1-benzofuran-3-yl-[(2S)-2-methylpiperazin-1-yl]methanone.

Molecular Properties

Compound Name1-benzofuran-3-yl-[(2S)-2-methylpiperazin-1-yl]methanone
PubChem CID82705753
Molecular FormulaC14H16N2O2
Molecular Weight244.29 g/mol
Exact Mass244.12
IUPAC Name1-benzofuran-3-yl-[(2S)-2-methylpiperazin-1-yl]methanone
SMILESC[C@H]1CNCCN1C(=O)c1coc2ccccc12
InChIInChI=1S/C14H16N2O2/c1-10-8-15-6-7-16(10)14(17)12-9-18-13-5-3-2-4-11(12)13/h2-5,9-10,15H,6-8H2,1H3/t10-/m0/s1
InChIKeyMMUVOJOSVHSZKS-JTQLQIEISA-N
XLogP1.87
TPSA45.48 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds1
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500244.29
LogP ≤ 51.87
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

3-(2-methylpiperazine-1-carbonyl)chromen-2-one
CID 62672423
(2-iodophenyl)-[(2R)-2-methylpiperazin-1-yl]methanone
CID 82704622
1-benzothiophen-3-yl-(2-methylpiperazin-1-yl)methanone;hydrochloride
CID 119471975
4-[(2R)-2-methylpiperazine-1-carbonyl]-1H-quinolin-2-one
CID 82704916
1-(1-benzofuran-3-carbonyl)-3-methylpyrrolidine-2-carboxylic acid
CID 102775843
(2,3-dimethoxyphenyl)-(2-methylpiperazin-1-yl)methanone
CID 62672070
(2,6-dihydroxyphenyl)-[(2S)-2-methylpiperazin-1-yl]methanone
CID 107690427
3-[(2S)-2-methylpiperazine-1-carbonyl]-4H-pyrazolo[1,5-a]quinazolin-5-one;hydrochloride
CID 137127774
(2-methylpiperazin-1-yl)-pyrazolo[1,5-a]pyridin-3-ylmethanone;hydrochloride
CID 119470274
1-benzofuran-3-yl-(4-ethyl-2,3,3a,4,6,6a-hexahydro-1H-pyrrolo[3,4-c]pyrrol-5-yl)methanone
CID 66207735
(2-methylpiperazin-1-yl)-(4-phenylphenyl)methanone
CID 69401759
(2-chloro-5-phenylphenyl)-(2-methylpiperazin-1-yl)methanone
CID 119472210

Frequently Asked Questions

What is the IUPAC name of 1-benzofuran-3-yl-[(2S)-2-methylpiperazin-1-yl]methanone?
The IUPAC name of 1-benzofuran-3-yl-[(2S)-2-methylpiperazin-1-yl]methanone (CID 82705753) is 1-benzofuran-3-yl-[(2S)-2-methylpiperazin-1-yl]methanone.
What is the SMILES notation for 1-benzofuran-3-yl-[(2S)-2-methylpiperazin-1-yl]methanone?
The canonical SMILES for 1-benzofuran-3-yl-[(2S)-2-methylpiperazin-1-yl]methanone is C[C@H]1CNCCN1C(=O)c1coc2ccccc12.
What is the InChIKey of 1-benzofuran-3-yl-[(2S)-2-methylpiperazin-1-yl]methanone?
The InChIKey is MMUVOJOSVHSZKS-JTQLQIEISA-N. The full InChI is InChI=1S/C14H16N2O2/c1-10-8-15-6-7-16(10)14(17)12-9-18-13-5-3-2-4-11(12)13/h2-5,9-10,15H,6-8H2,1H3/t10-/m0/s1.
What are the key properties of 1-benzofuran-3-yl-[(2S)-2-methylpiperazin-1-yl]methanone?
1-benzofuran-3-yl-[(2S)-2-methylpiperazin-1-yl]methanone has a molecular weight of 244.29 g/mol, XLogP of 1.87, 1 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-benzofuran-3-yl-[(2S)-2-methylpiperazin-1-yl]methanone is sourced from PubChem (CID 82705753), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).