1-(3,4-dihydro-1H-isochromene-1-carbonyl)piperidine-2-carboxylic acid

C16H19NO4 — CID 60983754

IUPAC1-(3,4-dihydro-1H-isochromene-1-carbonyl)piperidine-2-carboxylic acid
SMILESO=C(O)C1CCCCN1C(=O)C1OCCc2ccccc21
InChIInChI=1S/C16H19NO4/c18-15(17-9-4-3-7-13(17)16(19)20)14-12-6-2-1-5-11(12)8-10-21-14/h1-2,5-6,13-14H,3-4,7-10H2,(H,19,20)
InChIKeyRXDVTGKOYFVEFC-UHFFFAOYSA-N
MW289.33 g/mol
LogP1.77
Rot. Bonds2

About 1-(3,4-dihydro-1H-isochromene-1-carbonyl)piperidine-2-carboxylic acid

1-(3,4-dihydro-1H-isochromene-1-carbonyl)piperidine-2-carboxylic acid (PubChem CID 60983754) has the molecular formula C16H19NO4 and a molecular weight of 289.33 g/mol. Its IUPAC name is 1-(3,4-dihydro-1H-isochromene-1-carbonyl)piperidine-2-carboxylic acid.

Molecular Properties

Compound Name1-(3,4-dihydro-1H-isochromene-1-carbonyl)piperidine-2-carboxylic acid
PubChem CID60983754
Molecular FormulaC16H19NO4
Molecular Weight289.33 g/mol
Exact Mass289.13
IUPAC Name1-(3,4-dihydro-1H-isochromene-1-carbonyl)piperidine-2-carboxylic acid
SMILESO=C(O)C1CCCCN1C(=O)C1OCCc2ccccc21
InChIInChI=1S/C16H19NO4/c18-15(17-9-4-3-7-13(17)16(19)20)14-12-6-2-1-5-11(12)8-10-21-14/h1-2,5-6,13-14H,3-4,7-10H2,(H,19,20)
InChIKeyRXDVTGKOYFVEFC-UHFFFAOYSA-N
XLogP1.77
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 ≤ 51.77
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

(2R)-1-[2-[(1S)-3,4-dihydro-1H-isochromen-1-yl]acetyl]pyrrolidine-2-carboxylic acid
CID 124702915
(2R)-1-[2-(3,4-dihydro-1H-isochromen-1-yl)acetyl]pyrrolidine-2-carboxylic acid
CID 119371436
(2S)-1-(1,2,3,4-tetrahydronaphthalene-2-carbonyl)piperidine-2-carboxylic acid
CID 107126335
3,4-dihydro-1H-isochromen-1-yl(morpholin-4-yl)methanone
CID 64592075
(2R)-1-(2,3-dihydro-1H-indene-2-carbonyl)pyrrolidine-2-carboxylic acid
CID 106892375
3,4-dihydro-1H-isochromen-1-yl-[2-(5,6,7,8-tetrahydropyrido[4,3-d]pyrimidin-2-yl)pyrrolidin-1-yl]methanone
CID 110240779
1-[(2S)-2,3-dihydro-1H-indole-2-carbonyl]piperidine-2-carboxylic acid
CID 61158469
(1R)-N-cyclohexyl-3,4-dihydro-1H-isochromene-1-carboxamide
CID 7378858
3-[(2R)-1-[2-[(1R)-3,4-dihydro-1H-isochromen-1-yl]acetyl]piperidin-2-yl]propanoic acid
CID 124701205
(2S)-1-(2,3-dihydro-1-benzothiophene-2-carbonyl)piperidine-2-carboxylic acid
CID 66262994
(2S)-1-(2,3-dihydro-1,4-benzodioxine-3-carbonyl)piperidine-2-carboxylic acid
CID 66263820
(2R)-1-(spiro[1,2-dihydroindene-3,2'-cyclopropane]-1'-carbonyl)piperidine-2-carboxylic acid
CID 120689782

Frequently Asked Questions

What is the IUPAC name of 1-(3,4-dihydro-1H-isochromene-1-carbonyl)piperidine-2-carboxylic acid?
The IUPAC name of 1-(3,4-dihydro-1H-isochromene-1-carbonyl)piperidine-2-carboxylic acid (CID 60983754) is 1-(3,4-dihydro-1H-isochromene-1-carbonyl)piperidine-2-carboxylic acid.
What is the SMILES notation for 1-(3,4-dihydro-1H-isochromene-1-carbonyl)piperidine-2-carboxylic acid?
The canonical SMILES for 1-(3,4-dihydro-1H-isochromene-1-carbonyl)piperidine-2-carboxylic acid is O=C(O)C1CCCCN1C(=O)C1OCCc2ccccc21.
What is the InChIKey of 1-(3,4-dihydro-1H-isochromene-1-carbonyl)piperidine-2-carboxylic acid?
The InChIKey is RXDVTGKOYFVEFC-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H19NO4/c18-15(17-9-4-3-7-13(17)16(19)20)14-12-6-2-1-5-11(12)8-10-21-14/h1-2,5-6,13-14H,3-4,7-10H2,(H,19,20).
What are the key properties of 1-(3,4-dihydro-1H-isochromene-1-carbonyl)piperidine-2-carboxylic acid?
1-(3,4-dihydro-1H-isochromene-1-carbonyl)piperidine-2-carboxylic acid has a molecular weight of 289.33 g/mol, XLogP of 1.77, 2 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(3,4-dihydro-1H-isochromene-1-carbonyl)piperidine-2-carboxylic acid is sourced from PubChem (CID 60983754), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).