(7-methoxy-1-benzofuran-2-yl)-[(3S)-3-pyrrolidin-1-ylpiperidin-1-yl]methanone

C19H24N2O3 — CID 95616208

IUPAC(7-methoxy-1-benzofuran-2-yl)-[(3S)-3-pyrrolidin-1-ylpiperidin-1-yl]methanone
SMILESCOc1cccc2cc(C(=O)N3CCC[C@H](N4CCCC4)C3)oc12
InChIInChI=1S/C19H24N2O3/c1-23-16-8-4-6-14-12-17(24-18(14)16)19(22)21-11-5-7-15(13-21)20-9-2-3-10-20/h4,6,8,12,15H,2-3,5,7,9-11,13H2,1H3/t15-/m0/s1
InChIKeySDZDUKVISMDCBG-HNNXBMFYSA-N
MW328.41 g/mol
LogP3.14
Rot. Bonds3

About (7-methoxy-1-benzofuran-2-yl)-[(3S)-3-pyrrolidin-1-ylpiperidin-1-yl]methanone

(7-methoxy-1-benzofuran-2-yl)-[(3S)-3-pyrrolidin-1-ylpiperidin-1-yl]methanone (PubChem CID 95616208) has the molecular formula C19H24N2O3 and a molecular weight of 328.41 g/mol. Its IUPAC name is (7-methoxy-1-benzofuran-2-yl)-[(3S)-3-pyrrolidin-1-ylpiperidin-1-yl]methanone.

Molecular Properties

Compound Name(7-methoxy-1-benzofuran-2-yl)-[(3S)-3-pyrrolidin-1-ylpiperidin-1-yl]methanone
PubChem CID95616208
Molecular FormulaC19H24N2O3
Molecular Weight328.41 g/mol
Exact Mass328.18
IUPAC Name(7-methoxy-1-benzofuran-2-yl)-[(3S)-3-pyrrolidin-1-ylpiperidin-1-yl]methanone
SMILESCOc1cccc2cc(C(=O)N3CCC[C@H](N4CCCC4)C3)oc12
InChIInChI=1S/C19H24N2O3/c1-23-16-8-4-6-14-12-17(24-18(14)16)19(22)21-11-5-7-15(13-21)20-9-2-3-10-20/h4,6,8,12,15H,2-3,5,7,9-11,13H2,1H3/t15-/m0/s1
InChIKeySDZDUKVISMDCBG-HNNXBMFYSA-N
XLogP3.14
TPSA45.92 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500328.41
LogP ≤ 53.14
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

Analyze (7-methoxy-1-benzofuran-2-yl)-[(3S)-3-pyrrolidin-1-ylpiperidin-1-yl]methanone with MolForge

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Related Compounds

(7-methoxy-1-benzofuran-2-yl)-(3-pyrrolidin-1-ylazetidin-1-yl)methanone
CID 134160907
[3-(4-cyclohexylpiperazin-1-yl)azetidin-1-yl]-(7-methoxy-1-benzofuran-2-yl)methanone
CID 126892491
(3S)-1-(7-methoxy-1-benzofuran-2-carbonyl)piperidine-3-carboxylic acid
CID 99639026
1-benzofuran-2-yl-(3-pyrrolidin-1-ylpiperidin-1-yl)methanone
CID 56818112
[3-(4,6-dimethylpyrimidin-2-yl)oxypiperidin-1-yl]-(7-methoxy-1-benzofuran-2-yl)methanone
CID 122243567
[3-(2,6-dimethylpyrimidin-4-yl)oxypiperidin-1-yl]-(7-methoxy-1-benzofuran-2-yl)methanone
CID 122260175
(7-methoxy-1-benzofuran-2-yl)-[4-(methoxymethyl)piperidin-1-yl]methanone
CID 121091409
(4-cyclopentylpiperazin-1-yl)-(7-ethoxy-1-benzofuran-2-yl)methanone;hydrochloride
CID 18456501
(7-methoxy-1-benzofuran-2-yl)-[(3S)-3-(4-phenyltriazol-1-yl)pyrrolidin-1-yl]methanone
CID 99986548
(7-methoxy-1-benzofuran-2-yl)-[3-(4-phenyltriazol-1-yl)pyrrolidin-1-yl]methanone
CID 86264913
1-[1-(7-methoxy-1-benzofuran-2-yl)ethenyl]pyrrolidine
CID 21258113
(2,3-dichlorophenyl)-[4-(7-methoxy-1-benzofuran-2-carbonyl)piperazin-1-yl]methanone
CID 78892364

Frequently Asked Questions

What is the IUPAC name of (7-methoxy-1-benzofuran-2-yl)-[(3S)-3-pyrrolidin-1-ylpiperidin-1-yl]methanone?
The IUPAC name of (7-methoxy-1-benzofuran-2-yl)-[(3S)-3-pyrrolidin-1-ylpiperidin-1-yl]methanone (CID 95616208) is (7-methoxy-1-benzofuran-2-yl)-[(3S)-3-pyrrolidin-1-ylpiperidin-1-yl]methanone.
What is the SMILES notation for (7-methoxy-1-benzofuran-2-yl)-[(3S)-3-pyrrolidin-1-ylpiperidin-1-yl]methanone?
The canonical SMILES for (7-methoxy-1-benzofuran-2-yl)-[(3S)-3-pyrrolidin-1-ylpiperidin-1-yl]methanone is COc1cccc2cc(C(=O)N3CCC[C@H](N4CCCC4)C3)oc12.
What is the InChIKey of (7-methoxy-1-benzofuran-2-yl)-[(3S)-3-pyrrolidin-1-ylpiperidin-1-yl]methanone?
The InChIKey is SDZDUKVISMDCBG-HNNXBMFYSA-N. The full InChI is InChI=1S/C19H24N2O3/c1-23-16-8-4-6-14-12-17(24-18(14)16)19(22)21-11-5-7-15(13-21)20-9-2-3-10-20/h4,6,8,12,15H,2-3,5,7,9-11,13H2,1H3/t15-/m0/s1.
What are the key properties of (7-methoxy-1-benzofuran-2-yl)-[(3S)-3-pyrrolidin-1-ylpiperidin-1-yl]methanone?
(7-methoxy-1-benzofuran-2-yl)-[(3S)-3-pyrrolidin-1-ylpiperidin-1-yl]methanone has a molecular weight of 328.41 g/mol, XLogP of 3.14, 3 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (7-methoxy-1-benzofuran-2-yl)-[(3S)-3-pyrrolidin-1-ylpiperidin-1-yl]methanone is sourced from PubChem (CID 95616208), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).