(2S)-2-[4-(5-methoxy-2-methyl-1-benzofuran-3-carbonyl)piperazin-1-yl]propanamide

C18H23N3O4 — CID 95346522

IUPAC(2S)-2-[4-(5-methoxy-2-methyl-1-benzofuran-3-carbonyl)piperazin-1-yl]propanamide
SMILESCOc1ccc2oc(C)c(C(=O)N3CCN([C@@H](C)C(N)=O)CC3)c2c1
InChIInChI=1S/C18H23N3O4/c1-11(17(19)22)20-6-8-21(9-7-20)18(23)16-12(2)25-15-5-4-13(24-3)10-14(15)16/h4-5,10-11H,6-9H2,1-3H3,(H2,19,22)/t11-/m0/s1
InChIKeyONJJFOOVBQEHOI-NSHDSACASA-N
MW345.40 g/mol
LogP1.38
Rot. Bonds4

About (2S)-2-[4-(5-methoxy-2-methyl-1-benzofuran-3-carbonyl)piperazin-1-yl]propanamide

(2S)-2-[4-(5-methoxy-2-methyl-1-benzofuran-3-carbonyl)piperazin-1-yl]propanamide (PubChem CID 95346522) has the molecular formula C18H23N3O4 and a molecular weight of 345.40 g/mol. Its IUPAC name is (2S)-2-[4-(5-methoxy-2-methyl-1-benzofuran-3-carbonyl)piperazin-1-yl]propanamide.

Molecular Properties

Compound Name(2S)-2-[4-(5-methoxy-2-methyl-1-benzofuran-3-carbonyl)piperazin-1-yl]propanamide
PubChem CID95346522
Molecular FormulaC18H23N3O4
Molecular Weight345.40 g/mol
Exact Mass345.17
IUPAC Name(2S)-2-[4-(5-methoxy-2-methyl-1-benzofuran-3-carbonyl)piperazin-1-yl]propanamide
SMILESCOc1ccc2oc(C)c(C(=O)N3CCN([C@@H](C)C(N)=O)CC3)c2c1
InChIInChI=1S/C18H23N3O4/c1-11(17(19)22)20-6-8-21(9-7-20)18(23)16-12(2)25-15-5-4-13(24-3)10-14(15)16/h4-5,10-11H,6-9H2,1-3H3,(H2,19,22)/t11-/m0/s1
InChIKeyONJJFOOVBQEHOI-NSHDSACASA-N
XLogP1.38
TPSA89.01 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500345.40
LogP ≤ 51.38
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Analyze (2S)-2-[4-(5-methoxy-2-methyl-1-benzofuran-3-carbonyl)piperazin-1-yl]propanamide with MolForge

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Related Compounds

(5-methoxy-2-methyl-1-benzofuran-3-yl)-[4-(2-methylphenyl)piperazin-1-yl]methanone
CID 589845
1-(5-methoxy-2-methyl-1-benzofuran-3-carbonyl)-1,4-diazepan-5-one
CID 56821206
N-cyclopropyl-2-[4-(5-methoxy-2-methyl-1-benzofuran-3-carbonyl)piperazin-1-yl]acetamide
CID 55790290
(2R)-4-(5-methoxy-2-methyl-1-benzofuran-3-carbonyl)morpholine-2-carboxylic acid
CID 125151943
N-(2,6-dimethylphenyl)-2-[4-(5-methoxy-2-methyl-1-benzofuran-3-carbonyl)piperazin-1-yl]acetamide
CID 55789606
(14-chloro-2-methylsulfonyl-6-propan-2-yl-2,6,9-triazabicyclo[9.4.0]pentadeca-1(11),12,14-trien-9-yl)-(5-methoxy-2-methyl-1-benzofuran-3-yl)methanone
CID 133069139
(3S,6R)-1-(5-methoxy-2-methyl-1-benzofuran-3-carbonyl)-6-methylpiperidine-3-carboxamide
CID 95585461
N-[(1S)-2-amino-2-oxo-1-phenylethyl]-5-methoxy-2-methyl-1-benzofuran-3-carboxamide
CID 94029246
[(4aR,7aS)-3,4a,5,6,7,7a-hexahydro-2H-cyclopenta[b][1,4]oxazin-4-yl]-(5-methoxy-2-methyl-1-benzofuran-3-yl)methanone
CID 94487519
2-[(5-methoxy-2-methyl-1-benzofuran-3-carbonyl)amino]propanoic acid
CID 82043387
(2,4-dimethoxyphenyl)-[4-(5-methoxy-3-methyl-1-benzofuran-2-carbonyl)piperazin-1-yl]methanone
CID 55904204
5-(4-methoxyphenoxy)-2-methyl-1-benzofuran-3-carboxylic acid
CID 177038641

Frequently Asked Questions

What is the IUPAC name of (2S)-2-[4-(5-methoxy-2-methyl-1-benzofuran-3-carbonyl)piperazin-1-yl]propanamide?
The IUPAC name of (2S)-2-[4-(5-methoxy-2-methyl-1-benzofuran-3-carbonyl)piperazin-1-yl]propanamide (CID 95346522) is (2S)-2-[4-(5-methoxy-2-methyl-1-benzofuran-3-carbonyl)piperazin-1-yl]propanamide.
What is the SMILES notation for (2S)-2-[4-(5-methoxy-2-methyl-1-benzofuran-3-carbonyl)piperazin-1-yl]propanamide?
The canonical SMILES for (2S)-2-[4-(5-methoxy-2-methyl-1-benzofuran-3-carbonyl)piperazin-1-yl]propanamide is COc1ccc2oc(C)c(C(=O)N3CCN([C@@H](C)C(N)=O)CC3)c2c1.
What is the InChIKey of (2S)-2-[4-(5-methoxy-2-methyl-1-benzofuran-3-carbonyl)piperazin-1-yl]propanamide?
The InChIKey is ONJJFOOVBQEHOI-NSHDSACASA-N. The full InChI is InChI=1S/C18H23N3O4/c1-11(17(19)22)20-6-8-21(9-7-20)18(23)16-12(2)25-15-5-4-13(24-3)10-14(15)16/h4-5,10-11H,6-9H2,1-3H3,(H2,19,22)/t11-/m0/s1.
What are the key properties of (2S)-2-[4-(5-methoxy-2-methyl-1-benzofuran-3-carbonyl)piperazin-1-yl]propanamide?
(2S)-2-[4-(5-methoxy-2-methyl-1-benzofuran-3-carbonyl)piperazin-1-yl]propanamide has a molecular weight of 345.40 g/mol, XLogP of 1.38, 4 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for (2S)-2-[4-(5-methoxy-2-methyl-1-benzofuran-3-carbonyl)piperazin-1-yl]propanamide is sourced from PubChem (CID 95346522), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).