(5-methyl-1-benzofuran-2-yl)-(3-piperazin-1-ylpyrrolidin-1-yl)methanone

C18H23N3O2 — CID 120997472

IUPAC(5-methyl-1-benzofuran-2-yl)-(3-piperazin-1-ylpyrrolidin-1-yl)methanone
SMILESCc1ccc2oc(C(=O)N3CCC(N4CCNCC4)C3)cc2c1
InChIInChI=1S/C18H23N3O2/c1-13-2-3-16-14(10-13)11-17(23-16)18(22)21-7-4-15(12-21)20-8-5-19-6-9-20/h2-3,10-11,15,19H,4-9,12H2,1H3
InChIKeyGOOMBCXXPZIRPZ-UHFFFAOYSA-N
MW313.40 g/mol
LogP1.86
Rot. Bonds2

About (5-methyl-1-benzofuran-2-yl)-(3-piperazin-1-ylpyrrolidin-1-yl)methanone

(5-methyl-1-benzofuran-2-yl)-(3-piperazin-1-ylpyrrolidin-1-yl)methanone (PubChem CID 120997472) has the molecular formula C18H23N3O2 and a molecular weight of 313.40 g/mol. Its IUPAC name is (5-methyl-1-benzofuran-2-yl)-(3-piperazin-1-ylpyrrolidin-1-yl)methanone.

Molecular Properties

Compound Name(5-methyl-1-benzofuran-2-yl)-(3-piperazin-1-ylpyrrolidin-1-yl)methanone
PubChem CID120997472
Molecular FormulaC18H23N3O2
Molecular Weight313.40 g/mol
Exact Mass313.18
IUPAC Name(5-methyl-1-benzofuran-2-yl)-(3-piperazin-1-ylpyrrolidin-1-yl)methanone
SMILESCc1ccc2oc(C(=O)N3CCC(N4CCNCC4)C3)cc2c1
InChIInChI=1S/C18H23N3O2/c1-13-2-3-16-14(10-13)11-17(23-16)18(22)21-7-4-15(12-21)20-8-5-19-6-9-20/h2-3,10-11,15,19H,4-9,12H2,1H3
InChIKeyGOOMBCXXPZIRPZ-UHFFFAOYSA-N
XLogP1.86
TPSA48.72 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500313.40
LogP ≤ 51.86
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Analyze (5-methyl-1-benzofuran-2-yl)-(3-piperazin-1-ylpyrrolidin-1-yl)methanone with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

(5-nitro-1-benzofuran-2-yl)-(3-piperazin-1-ylpyrrolidin-1-yl)methanone;hydrochloride
CID 120996770
(5-bromo-1-benzofuran-2-yl)-[(3S)-3-pyrrolidin-1-ylpyrrolidin-1-yl]methanone
CID 52877254
(3,5-dimethylphenyl)-(3-piperazin-1-ylpyrrolidin-1-yl)methanone
CID 120994448
methyl 5-(3-piperazin-1-ylpyrrolidine-1-carbonyl)furan-2-carboxylate
CID 120996909
(5-methyl-1-benzofuran-2-yl)-(3-phenoxypyrrolidin-1-yl)methanone
CID 119061394
[(3R,4S,5R)-4,5-dihydroxy-3-morpholin-4-ylazepan-1-yl]-(5-methyl-1-benzofuran-2-yl)methanone
CID 110164615
1-(5-methyl-1-benzofuran-2-carbonyl)piperidin-4-one
CID 55012658
[2-(chloromethyl)morpholin-4-yl]-(5-methyl-1-benzofuran-2-yl)methanone
CID 81210117
[5-(4-ethylphenyl)furan-2-yl]-(3-piperazin-1-ylpyrrolidin-1-yl)methanone
CID 120997190
1-benzofuran-2-yl-(3-pyrrolidin-1-ylpiperidin-1-yl)methanone
CID 56818112
1-(5-methyl-1-benzofuran-2-carbonyl)-N-phenylpiperidine-4-carboxamide
CID 55930145
[(2S)-2-(hydroxymethyl)pyrrolidin-1-yl]-(5-methyl-1-benzofuran-2-yl)methanone
CID 66261699

Frequently Asked Questions

What is the IUPAC name of (5-methyl-1-benzofuran-2-yl)-(3-piperazin-1-ylpyrrolidin-1-yl)methanone?
The IUPAC name of (5-methyl-1-benzofuran-2-yl)-(3-piperazin-1-ylpyrrolidin-1-yl)methanone (CID 120997472) is (5-methyl-1-benzofuran-2-yl)-(3-piperazin-1-ylpyrrolidin-1-yl)methanone.
What is the SMILES notation for (5-methyl-1-benzofuran-2-yl)-(3-piperazin-1-ylpyrrolidin-1-yl)methanone?
The canonical SMILES for (5-methyl-1-benzofuran-2-yl)-(3-piperazin-1-ylpyrrolidin-1-yl)methanone is Cc1ccc2oc(C(=O)N3CCC(N4CCNCC4)C3)cc2c1.
What is the InChIKey of (5-methyl-1-benzofuran-2-yl)-(3-piperazin-1-ylpyrrolidin-1-yl)methanone?
The InChIKey is GOOMBCXXPZIRPZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H23N3O2/c1-13-2-3-16-14(10-13)11-17(23-16)18(22)21-7-4-15(12-21)20-8-5-19-6-9-20/h2-3,10-11,15,19H,4-9,12H2,1H3.
What are the key properties of (5-methyl-1-benzofuran-2-yl)-(3-piperazin-1-ylpyrrolidin-1-yl)methanone?
(5-methyl-1-benzofuran-2-yl)-(3-piperazin-1-ylpyrrolidin-1-yl)methanone has a molecular weight of 313.40 g/mol, XLogP of 1.86, 2 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (5-methyl-1-benzofuran-2-yl)-(3-piperazin-1-ylpyrrolidin-1-yl)methanone is sourced from PubChem (CID 120997472), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).