(3,5-dimethyl-1-benzofuran-2-yl)-[2-(3-hydroxypropyl)piperidin-1-yl]methanone

C19H25NO3 — CID 45221687

IUPAC(3,5-dimethyl-1-benzofuran-2-yl)-[2-(3-hydroxypropyl)piperidin-1-yl]methanone
SMILESCc1ccc2oc(C(=O)N3CCCCC3CCCO)c(C)c2c1
InChIInChI=1S/C19H25NO3/c1-13-8-9-17-16(12-13)14(2)18(23-17)19(22)20-10-4-3-6-15(20)7-5-11-21/h8-9,12,15,21H,3-7,10-11H2,1-2H3
InChIKeyIVXUINNBSCFJJN-UHFFFAOYSA-N
MW315.41 g/mol
LogP3.82
Rot. Bonds4

About (3,5-dimethyl-1-benzofuran-2-yl)-[2-(3-hydroxypropyl)piperidin-1-yl]methanone

(3,5-dimethyl-1-benzofuran-2-yl)-[2-(3-hydroxypropyl)piperidin-1-yl]methanone (PubChem CID 45221687) has the molecular formula C19H25NO3 and a molecular weight of 315.41 g/mol. Its IUPAC name is (3,5-dimethyl-1-benzofuran-2-yl)-[2-(3-hydroxypropyl)piperidin-1-yl]methanone.

Molecular Properties

Compound Name(3,5-dimethyl-1-benzofuran-2-yl)-[2-(3-hydroxypropyl)piperidin-1-yl]methanone
PubChem CID45221687
Molecular FormulaC19H25NO3
Molecular Weight315.41 g/mol
Exact Mass315.18
IUPAC Name(3,5-dimethyl-1-benzofuran-2-yl)-[2-(3-hydroxypropyl)piperidin-1-yl]methanone
SMILESCc1ccc2oc(C(=O)N3CCCCC3CCCO)c(C)c2c1
InChIInChI=1S/C19H25NO3/c1-13-8-9-17-16(12-13)14(2)18(23-17)19(22)20-10-4-3-6-15(20)7-5-11-21/h8-9,12,15,21H,3-7,10-11H2,1-2H3
InChIKeyIVXUINNBSCFJJN-UHFFFAOYSA-N
XLogP3.82
TPSA53.68 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500315.41
LogP ≤ 53.82
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

methyl (2S)-1-(3,5-dimethyl-1-benzofuran-2-carbonyl)piperidine-2-carboxylate
CID 26401420
[2-(3-hydroxypropyl)pyrrolidin-1-yl]-(5-methyl-1-benzofuran-2-yl)methanone
CID 62467038
[2-(aminomethyl)piperidin-1-yl]-(3-methyl-1-benzofuran-2-yl)methanone
CID 119469689
[2-(3-hydroxypropyl)pyrrolidin-1-yl]-(5-methylfuran-2-yl)methanone
CID 62467531
(3,5-dimethyl-1-benzofuran-2-yl)-[3-(2-methylpiperidin-1-yl)azetidin-1-yl]methanone
CID 70731536
(5-bromo-3-methylfuran-2-yl)-[2-(2-hydroxyethyl)piperidin-1-yl]methanone
CID 110895265
[2-(3-hydroxypropyl)pyrrolidin-1-yl]-(4-methyl-1,2-oxazol-5-yl)methanone
CID 66335558
(5-methoxy-3-methyl-1-benzofuran-2-yl)-[(2S)-2-methylpiperidin-1-yl]methanone
CID 8502431
(5-methoxy-3-methyl-1-benzofuran-2-yl)-[(2R)-2-methylpiperidin-1-yl]methanone
CID 8502430
(3-amino-2-methylphenyl)-[2-(3-hydroxypropyl)pyrrolidin-1-yl]methanone
CID 55076498
[(2R)-2-[[(2R,6R)-2,6-dimethylmorpholin-4-yl]methyl]pyrrolidin-1-yl]-(5-fluoro-3-methyl-1-benzofuran-2-yl)methanone
CID 95344940
ethyl (3R)-1-(3,5-dimethyl-1-benzofuran-2-carbonyl)piperidine-3-carboxylate
CID 42242316

Frequently Asked Questions

What is the IUPAC name of (3,5-dimethyl-1-benzofuran-2-yl)-[2-(3-hydroxypropyl)piperidin-1-yl]methanone?
The IUPAC name of (3,5-dimethyl-1-benzofuran-2-yl)-[2-(3-hydroxypropyl)piperidin-1-yl]methanone (CID 45221687) is (3,5-dimethyl-1-benzofuran-2-yl)-[2-(3-hydroxypropyl)piperidin-1-yl]methanone.
What is the SMILES notation for (3,5-dimethyl-1-benzofuran-2-yl)-[2-(3-hydroxypropyl)piperidin-1-yl]methanone?
The canonical SMILES for (3,5-dimethyl-1-benzofuran-2-yl)-[2-(3-hydroxypropyl)piperidin-1-yl]methanone is Cc1ccc2oc(C(=O)N3CCCCC3CCCO)c(C)c2c1.
What is the InChIKey of (3,5-dimethyl-1-benzofuran-2-yl)-[2-(3-hydroxypropyl)piperidin-1-yl]methanone?
The InChIKey is IVXUINNBSCFJJN-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H25NO3/c1-13-8-9-17-16(12-13)14(2)18(23-17)19(22)20-10-4-3-6-15(20)7-5-11-21/h8-9,12,15,21H,3-7,10-11H2,1-2H3.
What are the key properties of (3,5-dimethyl-1-benzofuran-2-yl)-[2-(3-hydroxypropyl)piperidin-1-yl]methanone?
(3,5-dimethyl-1-benzofuran-2-yl)-[2-(3-hydroxypropyl)piperidin-1-yl]methanone has a molecular weight of 315.41 g/mol, XLogP of 3.82, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (3,5-dimethyl-1-benzofuran-2-yl)-[2-(3-hydroxypropyl)piperidin-1-yl]methanone is sourced from PubChem (CID 45221687), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).