1-(2,3-dihydro-1-benzofuran-2-carbonyl)-3-methylpiperidine-2-carboxylic acid

C16H19NO4 — CID 107069164

IUPAC1-(2,3-dihydro-1-benzofuran-2-carbonyl)-3-methylpiperidine-2-carboxylic acid
SMILESCC1CCCN(C(=O)C2Cc3ccccc3O2)C1C(=O)O
InChIInChI=1S/C16H19NO4/c1-10-5-4-8-17(14(10)16(19)20)15(18)13-9-11-6-2-3-7-12(11)21-13/h2-3,6-7,10,13-14H,4-5,8-9H2,1H3,(H,19,20)
InChIKeyKRRVWJREVMAWTQ-UHFFFAOYSA-N
MW289.33 g/mol
LogP1.70
Rot. Bonds2

About 1-(2,3-dihydro-1-benzofuran-2-carbonyl)-3-methylpiperidine-2-carboxylic acid

1-(2,3-dihydro-1-benzofuran-2-carbonyl)-3-methylpiperidine-2-carboxylic acid (PubChem CID 107069164) has the molecular formula C16H19NO4 and a molecular weight of 289.33 g/mol. Its IUPAC name is 1-(2,3-dihydro-1-benzofuran-2-carbonyl)-3-methylpiperidine-2-carboxylic acid.

Molecular Properties

Compound Name1-(2,3-dihydro-1-benzofuran-2-carbonyl)-3-methylpiperidine-2-carboxylic acid
PubChem CID107069164
Molecular FormulaC16H19NO4
Molecular Weight289.33 g/mol
Exact Mass289.13
IUPAC Name1-(2,3-dihydro-1-benzofuran-2-carbonyl)-3-methylpiperidine-2-carboxylic acid
SMILESCC1CCCN(C(=O)C2Cc3ccccc3O2)C1C(=O)O
InChIInChI=1S/C16H19NO4/c1-10-5-4-8-17(14(10)16(19)20)15(18)13-9-11-6-2-3-7-12(11)21-13/h2-3,6-7,10,13-14H,4-5,8-9H2,1H3,(H,19,20)
InChIKeyKRRVWJREVMAWTQ-UHFFFAOYSA-N
XLogP1.70
TPSA66.84 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500289.33
LogP ≤ 51.70
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Analyze 1-(2,3-dihydro-1-benzofuran-2-carbonyl)-3-methylpiperidine-2-carboxylic acid 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

1-(2,3-dihydro-1-benzofuran-2-carbonyl)-2-methylpyrrolidine-3-carboxylic acid
CID 79364197
[(2S)-2,3-dihydro-1-benzofuran-2-yl]-[(2S)-2-(4-methoxyphenyl)pyrrolidin-1-yl]methanone
CID 36671807
[(2R)-2,3-dihydro-1-benzofuran-2-yl]-[(2R)-2-(pyrrolidin-1-ylmethyl)pyrrolidin-1-yl]methanone
CID 94819696
[(2R)-2,3-dihydro-1-benzofuran-2-yl]-[(2S)-2-(1,3,5-trimethylpyrazol-4-yl)pyrrolidin-1-yl]methanone
CID 95978348
2,3-dihydro-1-benzofuran-2-yl(piperidin-1-yl)methanone
CID 2842480
2,3-dihydro-1-benzofuran-2-yl-[(2S)-2-methylpiperazin-1-yl]methanone
CID 82705558
[(2S)-2,3-dihydro-1-benzofuran-2-yl]-[(2S)-2-pyridin-4-ylazepan-1-yl]methanone
CID 95570301
1-(2,3-dihydro-1-benzofuran-2-carbonyl)-N'-hydroxypiperidine-3-carboximidamide
CID 77041903
1-(2-chlorobenzoyl)-3-methylpiperidine-2-carboxylic acid
CID 107069786
3-methyl-1-(1-phenylethylcarbamoyl)piperidine-2-carboxylic acid
CID 107071187
[(2S)-2,3-dihydro-1-benzofuran-2-yl]-[(2R)-2-[(3,5-dimethylpyrazol-1-yl)methyl]pyrrolidin-1-yl]methanone
CID 95605911
3-amino-N-[[1-(2,3-dihydro-1-benzofuran-2-carbonyl)piperidin-2-yl]methyl]propanamide
CID 120578197

Frequently Asked Questions

What is the IUPAC name of 1-(2,3-dihydro-1-benzofuran-2-carbonyl)-3-methylpiperidine-2-carboxylic acid?
The IUPAC name of 1-(2,3-dihydro-1-benzofuran-2-carbonyl)-3-methylpiperidine-2-carboxylic acid (CID 107069164) is 1-(2,3-dihydro-1-benzofuran-2-carbonyl)-3-methylpiperidine-2-carboxylic acid.
What is the SMILES notation for 1-(2,3-dihydro-1-benzofuran-2-carbonyl)-3-methylpiperidine-2-carboxylic acid?
The canonical SMILES for 1-(2,3-dihydro-1-benzofuran-2-carbonyl)-3-methylpiperidine-2-carboxylic acid is CC1CCCN(C(=O)C2Cc3ccccc3O2)C1C(=O)O.
What is the InChIKey of 1-(2,3-dihydro-1-benzofuran-2-carbonyl)-3-methylpiperidine-2-carboxylic acid?
The InChIKey is KRRVWJREVMAWTQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H19NO4/c1-10-5-4-8-17(14(10)16(19)20)15(18)13-9-11-6-2-3-7-12(11)21-13/h2-3,6-7,10,13-14H,4-5,8-9H2,1H3,(H,19,20).
What are the key properties of 1-(2,3-dihydro-1-benzofuran-2-carbonyl)-3-methylpiperidine-2-carboxylic acid?
1-(2,3-dihydro-1-benzofuran-2-carbonyl)-3-methylpiperidine-2-carboxylic acid has a molecular weight of 289.33 g/mol, XLogP of 1.70, 2 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(2,3-dihydro-1-benzofuran-2-carbonyl)-3-methylpiperidine-2-carboxylic acid is sourced from PubChem (CID 107069164), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).