(6S)-4-[5-(4-methoxyphenyl)furan-2-carbonyl]-6-methyl-1-(2-methylphenyl)piperazin-2-one

C24H24N2O4 — CID 42274003

IUPAC(6S)-4-[5-(4-methoxyphenyl)furan-2-carbonyl]-6-methyl-1-(2-methylphenyl)piperazin-2-one
SMILESCOc1ccc(-c2ccc(C(=O)N3CC(=O)N(c4ccccc4C)[C@@H](C)C3)o2)cc1
InChIInChI=1S/C24H24N2O4/c1-16-6-4-5-7-20(16)26-17(2)14-25(15-23(26)27)24(28)22-13-12-21(30-22)18-8-10-19(29-3)11-9-18/h4-13,17H,14-15H2,1-3H3/t17-/m0/s1
InChIKeyZUCPOTFOROTCBE-KRWDZBQOSA-N
MW404.47 g/mol
LogP4.14
Rot. Bonds4

About (6S)-4-[5-(4-methoxyphenyl)furan-2-carbonyl]-6-methyl-1-(2-methylphenyl)piperazin-2-one

(6S)-4-[5-(4-methoxyphenyl)furan-2-carbonyl]-6-methyl-1-(2-methylphenyl)piperazin-2-one (PubChem CID 42274003) has the molecular formula C24H24N2O4 and a molecular weight of 404.47 g/mol. Its IUPAC name is (6S)-4-[5-(4-methoxyphenyl)furan-2-carbonyl]-6-methyl-1-(2-methylphenyl)piperazin-2-one.

Molecular Properties

Compound Name(6S)-4-[5-(4-methoxyphenyl)furan-2-carbonyl]-6-methyl-1-(2-methylphenyl)piperazin-2-one
PubChem CID42274003
Molecular FormulaC24H24N2O4
Molecular Weight404.47 g/mol
Exact Mass404.17
IUPAC Name(6S)-4-[5-(4-methoxyphenyl)furan-2-carbonyl]-6-methyl-1-(2-methylphenyl)piperazin-2-one
SMILESCOc1ccc(-c2ccc(C(=O)N3CC(=O)N(c4ccccc4C)[C@@H](C)C3)o2)cc1
InChIInChI=1S/C24H24N2O4/c1-16-6-4-5-7-20(16)26-17(2)14-25(15-23(26)27)24(28)22-13-12-21(30-22)18-8-10-19(29-3)11-9-18/h4-13,17H,14-15H2,1-3H3/t17-/m0/s1
InChIKeyZUCPOTFOROTCBE-KRWDZBQOSA-N
XLogP4.14
TPSA62.99 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms30
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500404.47
LogP ≤ 54.14
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Related Compounds

[5-(4-methoxyphenyl)furan-2-yl]-pyrrolidin-1-ylmethanone
CID 53015377
[5-(4-methoxyphenyl)furan-2-yl]-[(1R,6S)-9-methyl-3,9-diazabicyclo[4.2.1]nonan-3-yl]methanone
CID 56721031
[(3aS,6aS)-1-methyl-2,3,3a,4,6,6a-hexahydropyrrolo[2,3-c]pyrrol-5-yl]-[5-(4-methoxyphenyl)furan-2-yl]methanone
CID 70706506
[(3aS,5R,6R,7aR)-5-(dimethylamino)-6-methoxy-1,3,3a,4,5,6,7,7a-octahydroisoindol-2-yl]-[5-(4-methoxyphenyl)furan-2-yl]methanone
CID 172655794
[5-(4-methoxyphenyl)furan-2-yl]-[4-(3-methyl-4-pyridinyl)piperazin-1-yl]methanone
CID 131933568
(6S)-4-[(2R)-2,3-dihydro-1-benzofuran-2-carbonyl]-6-methyl-1-(2-methylphenyl)piperazin-2-one
CID 42461213
[3-(4-methoxyanilino)piperidin-1-yl]-[5-(4-methoxyphenyl)furan-2-yl]methanone
CID 45204907
(4-methylpiperazin-1-yl)-[5-(4-phenoxyphenyl)furan-2-yl]methanone
CID 44585644
[(1S,5S,6R,7R)-6-(hydroxymethyl)-10-oxa-3-azatricyclo[5.2.1.01,5]decan-3-yl]-[5-(4-methoxyphenyl)furan-2-yl]methanone
CID 154819873
[4-(1,3-benzoxazol-2-yl)piperazin-1-yl]-[5-(4-methoxyphenyl)furan-2-yl]methanone
CID 131899516
3-methyl-1-(5-phenylfuran-2-carbonyl)piperidin-4-one
CID 166205934
(5R,8S,14S)-14-benzyl-10-[5-(4-methoxyphenyl)furan-2-carbonyl]-5,17-dimethyl-8-propan-2-yl-1,4,7,10,13,16,18-heptazabicyclo[13.3.0]octadeca-15,17-diene-3,6,12-trione
CID 135107056

Frequently Asked Questions

What is the IUPAC name of (6S)-4-[5-(4-methoxyphenyl)furan-2-carbonyl]-6-methyl-1-(2-methylphenyl)piperazin-2-one?
The IUPAC name of (6S)-4-[5-(4-methoxyphenyl)furan-2-carbonyl]-6-methyl-1-(2-methylphenyl)piperazin-2-one (CID 42274003) is (6S)-4-[5-(4-methoxyphenyl)furan-2-carbonyl]-6-methyl-1-(2-methylphenyl)piperazin-2-one.
What is the SMILES notation for (6S)-4-[5-(4-methoxyphenyl)furan-2-carbonyl]-6-methyl-1-(2-methylphenyl)piperazin-2-one?
The canonical SMILES for (6S)-4-[5-(4-methoxyphenyl)furan-2-carbonyl]-6-methyl-1-(2-methylphenyl)piperazin-2-one is COc1ccc(-c2ccc(C(=O)N3CC(=O)N(c4ccccc4C)[C@@H](C)C3)o2)cc1.
What is the InChIKey of (6S)-4-[5-(4-methoxyphenyl)furan-2-carbonyl]-6-methyl-1-(2-methylphenyl)piperazin-2-one?
The InChIKey is ZUCPOTFOROTCBE-KRWDZBQOSA-N. The full InChI is InChI=1S/C24H24N2O4/c1-16-6-4-5-7-20(16)26-17(2)14-25(15-23(26)27)24(28)22-13-12-21(30-22)18-8-10-19(29-3)11-9-18/h4-13,17H,14-15H2,1-3H3/t17-/m0/s1.
What are the key properties of (6S)-4-[5-(4-methoxyphenyl)furan-2-carbonyl]-6-methyl-1-(2-methylphenyl)piperazin-2-one?
(6S)-4-[5-(4-methoxyphenyl)furan-2-carbonyl]-6-methyl-1-(2-methylphenyl)piperazin-2-one has a molecular weight of 404.47 g/mol, XLogP of 4.14, 4 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (6S)-4-[5-(4-methoxyphenyl)furan-2-carbonyl]-6-methyl-1-(2-methylphenyl)piperazin-2-one is sourced from PubChem (CID 42274003), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).