1-benzofuran-2-yl-[(2S,5R)-2,5-dimethylpiperazin-1-yl]methanone

C15H18N2O2 — CID 141120566

IUPAC1-benzofuran-2-yl-[(2S,5R)-2,5-dimethylpiperazin-1-yl]methanone
SMILESC[C@@H]1CN(C(=O)c2cc3ccccc3o2)[C@@H](C)CN1
InChIInChI=1S/C15H18N2O2/c1-10-9-17(11(2)8-16-10)15(18)14-7-12-5-3-4-6-13(12)19-14/h3-7,10-11,16H,8-9H2,1-2H3/t10-,11+/m1/s1
InChIKeyUUFLRXPIPBDSFC-MNOVXSKESA-N
MW258.32 g/mol
LogP2.26
Rot. Bonds1

About 1-benzofuran-2-yl-[(2S,5R)-2,5-dimethylpiperazin-1-yl]methanone

1-benzofuran-2-yl-[(2S,5R)-2,5-dimethylpiperazin-1-yl]methanone (PubChem CID 141120566) has the molecular formula C15H18N2O2 and a molecular weight of 258.32 g/mol. Its IUPAC name is 1-benzofuran-2-yl-[(2S,5R)-2,5-dimethylpiperazin-1-yl]methanone.

Molecular Properties

Compound Name1-benzofuran-2-yl-[(2S,5R)-2,5-dimethylpiperazin-1-yl]methanone
PubChem CID141120566
Molecular FormulaC15H18N2O2
Molecular Weight258.32 g/mol
Exact Mass258.14
IUPAC Name1-benzofuran-2-yl-[(2S,5R)-2,5-dimethylpiperazin-1-yl]methanone
SMILESC[C@@H]1CN(C(=O)c2cc3ccccc3o2)[C@@H](C)CN1
InChIInChI=1S/C15H18N2O2/c1-10-9-17(11(2)8-16-10)15(18)14-7-12-5-3-4-6-13(12)19-14/h3-7,10-11,16H,8-9H2,1-2H3/t10-,11+/m1/s1
InChIKeyUUFLRXPIPBDSFC-MNOVXSKESA-N
XLogP2.26
TPSA45.48 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds1
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500258.32
LogP ≤ 52.26
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

1-benzofuran-2-yl-(2,5-diethylpiperazin-1-yl)methanone
CID 64978460
1-benzofuran-2-yl-[(3S,4R)-3,4-dihydroxypyrrolidin-1-yl]methanone
CID 79403971
1-(1-benzofuran-2-carbonyl)-2-methylpyrrolidine-3-carboxylic acid
CID 79363980
[2-(aminomethyl)-4-methylpiperazin-1-yl]-(1-benzofuran-2-yl)methanone
CID 80504331
(3-aminoazetidin-1-yl)-(1-benzofuran-2-yl)methanone
CID 63755277
(3,5-dihydroxyphenyl)-(2,5-dimethylpiperazin-1-yl)methanone
CID 107702962
1-benzofuran-2-yl-[(1S)-1-methyl-3,4-dihydro-1H-pyrrolo[1,2-a]pyrazin-2-yl]methanone
CID 36569223
1-benzofuran-2-yl-[2-(chloromethyl)-3-methylpyrrolidin-1-yl]methanone
CID 102787419
(3-chlorophenyl)-(2,5-dimethylpiperazin-1-yl)methanone
CID 64980085
(5-bromo-2-chlorophenyl)-(2,5-dimethylpiperazin-1-yl)methanone
CID 64979323
1-benzofuran-2-yl-(2-methyl-3,4-dihydro-2H-quinolin-1-yl)methanone
CID 112765907
1-benzofuran-2-yl-(4-chloro-3-methylpiperidin-1-yl)methanone
CID 114683163

Frequently Asked Questions

What is the IUPAC name of 1-benzofuran-2-yl-[(2S,5R)-2,5-dimethylpiperazin-1-yl]methanone?
The IUPAC name of 1-benzofuran-2-yl-[(2S,5R)-2,5-dimethylpiperazin-1-yl]methanone (CID 141120566) is 1-benzofuran-2-yl-[(2S,5R)-2,5-dimethylpiperazin-1-yl]methanone.
What is the SMILES notation for 1-benzofuran-2-yl-[(2S,5R)-2,5-dimethylpiperazin-1-yl]methanone?
The canonical SMILES for 1-benzofuran-2-yl-[(2S,5R)-2,5-dimethylpiperazin-1-yl]methanone is C[C@@H]1CN(C(=O)c2cc3ccccc3o2)[C@@H](C)CN1.
What is the InChIKey of 1-benzofuran-2-yl-[(2S,5R)-2,5-dimethylpiperazin-1-yl]methanone?
The InChIKey is UUFLRXPIPBDSFC-MNOVXSKESA-N. The full InChI is InChI=1S/C15H18N2O2/c1-10-9-17(11(2)8-16-10)15(18)14-7-12-5-3-4-6-13(12)19-14/h3-7,10-11,16H,8-9H2,1-2H3/t10-,11+/m1/s1.
What are the key properties of 1-benzofuran-2-yl-[(2S,5R)-2,5-dimethylpiperazin-1-yl]methanone?
1-benzofuran-2-yl-[(2S,5R)-2,5-dimethylpiperazin-1-yl]methanone has a molecular weight of 258.32 g/mol, XLogP of 2.26, 1 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-benzofuran-2-yl-[(2S,5R)-2,5-dimethylpiperazin-1-yl]methanone is sourced from PubChem (CID 141120566), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).