(4-hydroxy-4-propylpiperidin-1-yl)-(7-methoxy-1-benzofuran-2-yl)methanone

C18H23NO4 — CID 126808733

IUPAC(4-hydroxy-4-propylpiperidin-1-yl)-(7-methoxy-1-benzofuran-2-yl)methanone
SMILESCCCC1(O)CCN(C(=O)c2cc3cccc(OC)c3o2)CC1
InChIInChI=1S/C18H23NO4/c1-3-7-18(21)8-10-19(11-9-18)17(20)15-12-13-5-4-6-14(22-2)16(13)23-15/h4-6,12,21H,3,7-11H2,1-2H3
InChIKeyPEWSFVHIRVEHFT-UHFFFAOYSA-N
MW317.38 g/mol
LogP3.21
Rot. Bonds4

About (4-hydroxy-4-propylpiperidin-1-yl)-(7-methoxy-1-benzofuran-2-yl)methanone

(4-hydroxy-4-propylpiperidin-1-yl)-(7-methoxy-1-benzofuran-2-yl)methanone (PubChem CID 126808733) has the molecular formula C18H23NO4 and a molecular weight of 317.38 g/mol. Its IUPAC name is (4-hydroxy-4-propylpiperidin-1-yl)-(7-methoxy-1-benzofuran-2-yl)methanone.

Molecular Properties

Compound Name(4-hydroxy-4-propylpiperidin-1-yl)-(7-methoxy-1-benzofuran-2-yl)methanone
PubChem CID126808733
Molecular FormulaC18H23NO4
Molecular Weight317.38 g/mol
Exact Mass317.16
IUPAC Name(4-hydroxy-4-propylpiperidin-1-yl)-(7-methoxy-1-benzofuran-2-yl)methanone
SMILESCCCC1(O)CCN(C(=O)c2cc3cccc(OC)c3o2)CC1
InChIInChI=1S/C18H23NO4/c1-3-7-18(21)8-10-19(11-9-18)17(20)15-12-13-5-4-6-14(22-2)16(13)23-15/h4-6,12,21H,3,7-11H2,1-2H3
InChIKeyPEWSFVHIRVEHFT-UHFFFAOYSA-N
XLogP3.21
TPSA62.91 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500317.38
LogP ≤ 53.21
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Analyze (4-hydroxy-4-propylpiperidin-1-yl)-(7-methoxy-1-benzofuran-2-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

(7-methoxy-1-benzofuran-2-yl)-[4-(methoxymethyl)piperidin-1-yl]methanone
CID 121091409
but-2-ynyl 8-(7-methoxy-1-benzofuran-2-carbonyl)-2,8-diazaspiro[4.5]decane-2-carboxylate
CID 3850826
(7-methoxy-1-benzofuran-2-yl)-[2-[1-(4-methoxyphenyl)cyclopropanecarbonyl]-2,8-diazaspiro[4.5]decan-8-yl]methanone
CID 3763825
(2,3-dichlorophenyl)-[4-(7-methoxy-1-benzofuran-2-carbonyl)piperazin-1-yl]methanone
CID 78892364
(7-methoxy-1-benzofuran-2-yl)-(3-pyrrolidin-1-ylazetidin-1-yl)methanone
CID 134160907
[4-(2-fluorophenyl)piperazin-1-yl]-(7-methoxy-1-benzofuran-2-yl)methanone
CID 6472790
1-(7-methoxy-1-benzofuran-2-yl)propan-1-one
CID 65427049
[8-(2,6-difluoro-3-methylbenzoyl)-2,8-diazaspiro[4.5]decan-2-yl]-(7-methoxy-1-benzofuran-2-yl)methanone
CID 3800992
(7-methoxy-1-benzofuran-2-yl)-[4-[6-(4-methylpiperazin-1-yl)pyrimidin-4-yl]piperazin-1-yl]methanone
CID 122343430
N-[(2S)-1-[8-(7-methoxy-1-benzofuran-2-carbonyl)-2,8-diazaspiro[4.5]decan-2-yl]-4-methyl-1-oxopent-4-en-2-yl]acetamide
CID 74228605
methyl 2-[[8-(7-methoxy-1-benzofuran-2-carbonyl)-2,8-diazaspiro[4.5]decane-2-carbonyl]amino]-3-[(2-methylpropan-2-yl)oxy]propanoate
CID 3667586
(7-methoxy-1-benzofuran-2-yl)-[4-(6-methoxy-2-methylpyrimidin-4-yl)piperazin-1-yl]methanone
CID 122332265

Frequently Asked Questions

What is the IUPAC name of (4-hydroxy-4-propylpiperidin-1-yl)-(7-methoxy-1-benzofuran-2-yl)methanone?
The IUPAC name of (4-hydroxy-4-propylpiperidin-1-yl)-(7-methoxy-1-benzofuran-2-yl)methanone (CID 126808733) is (4-hydroxy-4-propylpiperidin-1-yl)-(7-methoxy-1-benzofuran-2-yl)methanone.
What is the SMILES notation for (4-hydroxy-4-propylpiperidin-1-yl)-(7-methoxy-1-benzofuran-2-yl)methanone?
The canonical SMILES for (4-hydroxy-4-propylpiperidin-1-yl)-(7-methoxy-1-benzofuran-2-yl)methanone is CCCC1(O)CCN(C(=O)c2cc3cccc(OC)c3o2)CC1.
What is the InChIKey of (4-hydroxy-4-propylpiperidin-1-yl)-(7-methoxy-1-benzofuran-2-yl)methanone?
The InChIKey is PEWSFVHIRVEHFT-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H23NO4/c1-3-7-18(21)8-10-19(11-9-18)17(20)15-12-13-5-4-6-14(22-2)16(13)23-15/h4-6,12,21H,3,7-11H2,1-2H3.
What are the key properties of (4-hydroxy-4-propylpiperidin-1-yl)-(7-methoxy-1-benzofuran-2-yl)methanone?
(4-hydroxy-4-propylpiperidin-1-yl)-(7-methoxy-1-benzofuran-2-yl)methanone has a molecular weight of 317.38 g/mol, XLogP of 3.21, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (4-hydroxy-4-propylpiperidin-1-yl)-(7-methoxy-1-benzofuran-2-yl)methanone is sourced from PubChem (CID 126808733), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).