4-[(6-methoxy-3-oxo-1-benzofuran-7-yl)methyl]piperidine-1-carboxylic acid

C16H19NO5 — CID 141435740

IUPAC4-[(6-methoxy-3-oxo-1-benzofuran-7-yl)methyl]piperidine-1-carboxylic acid
SMILESCOc1ccc2c(c1CC1CCN(C(=O)O)CC1)OCC2=O
InChIInChI=1S/C16H19NO5/c1-21-14-3-2-11-13(18)9-22-15(11)12(14)8-10-4-6-17(7-5-10)16(19)20/h2-3,10H,4-9H2,1H3,(H,19,20)
InChIKeyZSEXRNZWLNXANE-UHFFFAOYSA-N
MW305.33 g/mol
LogP2.20
Rot. Bonds3

About 4-[(6-methoxy-3-oxo-1-benzofuran-7-yl)methyl]piperidine-1-carboxylic acid

4-[(6-methoxy-3-oxo-1-benzofuran-7-yl)methyl]piperidine-1-carboxylic acid (PubChem CID 141435740) has the molecular formula C16H19NO5 and a molecular weight of 305.33 g/mol. Its IUPAC name is 4-[(6-methoxy-3-oxo-1-benzofuran-7-yl)methyl]piperidine-1-carboxylic acid.

Molecular Properties

Compound Name4-[(6-methoxy-3-oxo-1-benzofuran-7-yl)methyl]piperidine-1-carboxylic acid
PubChem CID141435740
Molecular FormulaC16H19NO5
Molecular Weight305.33 g/mol
Exact Mass305.13
IUPAC Name4-[(6-methoxy-3-oxo-1-benzofuran-7-yl)methyl]piperidine-1-carboxylic acid
SMILESCOc1ccc2c(c1CC1CCN(C(=O)O)CC1)OCC2=O
InChIInChI=1S/C16H19NO5/c1-21-14-3-2-11-13(18)9-22-15(11)12(14)8-10-4-6-17(7-5-10)16(19)20/h2-3,10H,4-9H2,1H3,(H,19,20)
InChIKeyZSEXRNZWLNXANE-UHFFFAOYSA-N
XLogP2.20
TPSA76.07 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500305.33
LogP ≤ 52.20
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

(2S)-4-[(6-methoxy-3-oxo-1-benzofuran-7-yl)methyl]-2-methylpiperazine-1-carboxylic acid
CID 129138156
4-[(4-methyl-3-oxo-1,4-benzoxazin-8-yl)methyl]piperidine-1-carboxylic acid
CID 69411820
4-[(3-oxo-4H-1,4-benzoxazin-8-yl)methyl]piperidine-1-carboxylic acid
CID 69414379
6-methoxy-7-[(Z)-3-piperidin-4-ylprop-1-enyl]-1-benzofuran-3-one
CID 141435737
4-[2-(3,4-dimethoxybenzoyl)prop-2-enyl]piperidine-1-carboxylic acid
CID 22596748
4-[(5-oxo-6,7-dihydropyrrolo[3,4-b]pyridin-2-yl)methyl]piperidine-1-carboxylic acid
CID 69371608
2-ethyl-3,6-dimethoxybenzoic acid
CID 84677566
4-[[3-(2-methoxyethoxy)-4-methylphenyl]methyl]piperidine-1-carboxylic acid
CID 66999625
[3-(aminomethyl)pyrrolidin-1-yl]-(8-methoxy-2H-chromen-3-yl)methanone;hydrochloride
CID 119483721
4-[(3-methylphenyl)methyl]piperidine-1-carboxylic acid
CID 69344046
2-(cyclopropylmethyl)-1,3-dimethoxybenzene
CID 123548705
7,8-dimethoxy-1H-isochromen-4-one
CID 174773303

Frequently Asked Questions

What is the IUPAC name of 4-[(6-methoxy-3-oxo-1-benzofuran-7-yl)methyl]piperidine-1-carboxylic acid?
The IUPAC name of 4-[(6-methoxy-3-oxo-1-benzofuran-7-yl)methyl]piperidine-1-carboxylic acid (CID 141435740) is 4-[(6-methoxy-3-oxo-1-benzofuran-7-yl)methyl]piperidine-1-carboxylic acid.
What is the SMILES notation for 4-[(6-methoxy-3-oxo-1-benzofuran-7-yl)methyl]piperidine-1-carboxylic acid?
The canonical SMILES for 4-[(6-methoxy-3-oxo-1-benzofuran-7-yl)methyl]piperidine-1-carboxylic acid is COc1ccc2c(c1CC1CCN(C(=O)O)CC1)OCC2=O.
What is the InChIKey of 4-[(6-methoxy-3-oxo-1-benzofuran-7-yl)methyl]piperidine-1-carboxylic acid?
The InChIKey is ZSEXRNZWLNXANE-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H19NO5/c1-21-14-3-2-11-13(18)9-22-15(11)12(14)8-10-4-6-17(7-5-10)16(19)20/h2-3,10H,4-9H2,1H3,(H,19,20).
What are the key properties of 4-[(6-methoxy-3-oxo-1-benzofuran-7-yl)methyl]piperidine-1-carboxylic acid?
4-[(6-methoxy-3-oxo-1-benzofuran-7-yl)methyl]piperidine-1-carboxylic acid has a molecular weight of 305.33 g/mol, XLogP of 2.20, 3 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[(6-methoxy-3-oxo-1-benzofuran-7-yl)methyl]piperidine-1-carboxylic acid is sourced from PubChem (CID 141435740), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).