4-(1-benzofuran-5-ylmethyl)-3-methyl-1-(2-methylpropyl)piperazin-2-one

C18H24N2O2 — CID 70776408

IUPAC4-(1-benzofuran-5-ylmethyl)-3-methyl-1-(2-methylpropyl)piperazin-2-one
SMILESCC(C)CN1CCN(Cc2ccc3occc3c2)C(C)C1=O
InChIInChI=1S/C18H24N2O2/c1-13(2)11-20-8-7-19(14(3)18(20)21)12-15-4-5-17-16(10-15)6-9-22-17/h4-6,9-10,13-14H,7-8,11-12H2,1-3H3
InChIKeyDAJUAFGTTBZESR-UHFFFAOYSA-N
MW300.40 g/mol
LogP3.12
Rot. Bonds4

About 4-(1-benzofuran-5-ylmethyl)-3-methyl-1-(2-methylpropyl)piperazin-2-one

4-(1-benzofuran-5-ylmethyl)-3-methyl-1-(2-methylpropyl)piperazin-2-one (PubChem CID 70776408) has the molecular formula C18H24N2O2 and a molecular weight of 300.40 g/mol. Its IUPAC name is 4-(1-benzofuran-5-ylmethyl)-3-methyl-1-(2-methylpropyl)piperazin-2-one.

Molecular Properties

Compound Name4-(1-benzofuran-5-ylmethyl)-3-methyl-1-(2-methylpropyl)piperazin-2-one
PubChem CID70776408
Molecular FormulaC18H24N2O2
Molecular Weight300.40 g/mol
Exact Mass300.18
IUPAC Name4-(1-benzofuran-5-ylmethyl)-3-methyl-1-(2-methylpropyl)piperazin-2-one
SMILESCC(C)CN1CCN(Cc2ccc3occc3c2)C(C)C1=O
InChIInChI=1S/C18H24N2O2/c1-13(2)11-20-8-7-19(14(3)18(20)21)12-15-4-5-17-16(10-15)6-9-22-17/h4-6,9-10,13-14H,7-8,11-12H2,1-3H3
InChIKeyDAJUAFGTTBZESR-UHFFFAOYSA-N
XLogP3.12
TPSA36.69 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500300.40
LogP ≤ 53.12
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Related Compounds

(3R)-4-[(7-hydroxyquinolin-3-yl)methyl]-3-methyl-1-(2-methylpropyl)piperazin-2-one
CID 136829958
(2R,3R)-1-(1-benzofuran-5-ylmethyl)-2-methylpiperidine-3-carboxylic acid
CID 122125043
(3S)-4-[(3-cyclohexyl-1,2-oxazol-5-yl)methyl]-3-methyl-1-(2-methylpropyl)piperazin-2-one
CID 95710005
methyl 4-methoxy-3-[[(2R)-2-methyl-4-(2-methylpropyl)-3-oxopiperazin-1-yl]methyl]benzoate
CID 95728178
4-[(2-fluoro-4,5-dimethoxyphenyl)methyl]-3-methyl-1-(2-methylpropyl)piperazin-2-one
CID 70784052
(3S)-4-[(4-ethyl-2-methyl-1,3-thiazol-5-yl)methyl]-3-methyl-1-(2-methylpropyl)piperazin-2-one
CID 95723749
(3R)-3-methyl-1-(2-methylpropyl)-4-[(5-methyl-1,3,4-thiadiazol-2-yl)methyl]piperazin-2-one
CID 125174779
1-(1-benzofuran-5-ylmethyl)-5-oxopyrrolidine-3-sulfonamide
CID 168718315
(3S)-1-[(4-aminoquinazolin-7-yl)methyl]-4-[(6-chloronaphthalen-2-yl)methyl]-3-methylpiperazin-2-one
CID 54143172
3-[(4-ethyl-2-methyl-3-oxopiperazin-1-yl)methyl]benzoic acid
CID 122033180
(5R)-9-(1-benzofuran-5-ylmethyl)-3-methyl-1-oxa-3,9-diazaspiro[4.6]undecan-2-one
CID 95719928
(3R)-1,3-dimethyl-4-[(2-methylquinolin-6-yl)methyl]piperazin-2-one
CID 99826047

Frequently Asked Questions

What is the IUPAC name of 4-(1-benzofuran-5-ylmethyl)-3-methyl-1-(2-methylpropyl)piperazin-2-one?
The IUPAC name of 4-(1-benzofuran-5-ylmethyl)-3-methyl-1-(2-methylpropyl)piperazin-2-one (CID 70776408) is 4-(1-benzofuran-5-ylmethyl)-3-methyl-1-(2-methylpropyl)piperazin-2-one.
What is the SMILES notation for 4-(1-benzofuran-5-ylmethyl)-3-methyl-1-(2-methylpropyl)piperazin-2-one?
The canonical SMILES for 4-(1-benzofuran-5-ylmethyl)-3-methyl-1-(2-methylpropyl)piperazin-2-one is CC(C)CN1CCN(Cc2ccc3occc3c2)C(C)C1=O.
What is the InChIKey of 4-(1-benzofuran-5-ylmethyl)-3-methyl-1-(2-methylpropyl)piperazin-2-one?
The InChIKey is DAJUAFGTTBZESR-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H24N2O2/c1-13(2)11-20-8-7-19(14(3)18(20)21)12-15-4-5-17-16(10-15)6-9-22-17/h4-6,9-10,13-14H,7-8,11-12H2,1-3H3.
What are the key properties of 4-(1-benzofuran-5-ylmethyl)-3-methyl-1-(2-methylpropyl)piperazin-2-one?
4-(1-benzofuran-5-ylmethyl)-3-methyl-1-(2-methylpropyl)piperazin-2-one has a molecular weight of 300.40 g/mol, XLogP of 3.12, 4 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(1-benzofuran-5-ylmethyl)-3-methyl-1-(2-methylpropyl)piperazin-2-one is sourced from PubChem (CID 70776408), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).