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

C16H19NO4 — CID 81126614

IUPAC(3R)-1-(3,4-dihydro-2H-chromene-3-carbonyl)piperidine-3-carboxylic acid
SMILESO=C(O)[C@@H]1CCCN(C(=O)C2COc3ccccc3C2)C1
InChIInChI=1S/C16H19NO4/c18-15(17-7-3-5-12(9-17)16(19)20)13-8-11-4-1-2-6-14(11)21-10-13/h1-2,4,6,12-13H,3,5,7-10H2,(H,19,20)/t12-,13?/m1/s1
InChIKeyUUPQZBNLBWYDKJ-PZORYLMUSA-N
MW289.33 g/mol
LogP1.56
Rot. Bonds2

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

(3R)-1-(3,4-dihydro-2H-chromene-3-carbonyl)piperidine-3-carboxylic acid (PubChem CID 81126614) has the molecular formula C16H19NO4 and a molecular weight of 289.33 g/mol. Its IUPAC name is (3R)-1-(3,4-dihydro-2H-chromene-3-carbonyl)piperidine-3-carboxylic acid.

Molecular Properties

Compound Name(3R)-1-(3,4-dihydro-2H-chromene-3-carbonyl)piperidine-3-carboxylic acid
PubChem CID81126614
Molecular FormulaC16H19NO4
Molecular Weight289.33 g/mol
Exact Mass289.13
IUPAC Name(3R)-1-(3,4-dihydro-2H-chromene-3-carbonyl)piperidine-3-carboxylic acid
SMILESO=C(O)[C@@H]1CCCN(C(=O)C2COc3ccccc3C2)C1
InChIInChI=1S/C16H19NO4/c18-15(17-7-3-5-12(9-17)16(19)20)13-8-11-4-1-2-6-14(11)21-10-13/h1-2,4,6,12-13H,3,5,7-10H2,(H,19,20)/t12-,13?/m1/s1
InChIKeyUUPQZBNLBWYDKJ-PZORYLMUSA-N
XLogP1.56
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 ≤ 51.56
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

3,4-dihydro-2H-chromen-3-yl-(4-piperidin-1-ylpiperidin-1-yl)methanone
CID 22578087
3,4-dihydro-2H-chromene-3-carboxylic acid
CID 162072408
3,4-dihydro-2H-chromen-3-yl-(3-hydroxy-4-methylpiperidin-1-yl)methanone
CID 103900916
3,4-dihydro-2H-chromen-3-yl-[4-(2-hydroxyphenyl)piperazin-1-yl]methanone
CID 134022339
[(3R)-3,4-dihydro-2H-chromen-3-yl]-[(3S)-3-(5-methyl-1,2,4-oxadiazol-3-yl)piperidin-1-yl]methanone
CID 95734429
[(3R)-3,4-dihydro-2H-chromen-3-yl]-[(3R)-3-(1,3-thiazol-2-yl)piperidin-1-yl]methanone
CID 95761165
[(3R)-3,4-dihydro-2H-chromen-3-yl]-morpholin-4-ylmethanone
CID 26794764
(3S)-1-(1,2,3,4-tetrahydroquinoline-3-carbonyl)piperidine-3-carboxylic acid
CID 106901635
[(3S)-3,4-dihydro-2H-chromen-3-yl]-[(3R)-3-(4-methyl-1,3-thiazol-2-yl)piperidin-1-yl]methanone
CID 95778814
[(3R)-3,4-dihydro-2H-chromen-3-yl]-[(3R)-3-(5-methyl-1H-pyrazol-3-yl)piperidin-1-yl]methanone
CID 96514506
(4-benzoylpiperazin-1-yl)-[(3S)-3,4-dihydro-2H-chromen-3-yl]methanone
CID 51925423
3,4-dihydro-2H-chromen-3-yl(piperazin-1-yl)methanone
CID 63565455

Frequently Asked Questions

What is the IUPAC name of (3R)-1-(3,4-dihydro-2H-chromene-3-carbonyl)piperidine-3-carboxylic acid?
The IUPAC name of (3R)-1-(3,4-dihydro-2H-chromene-3-carbonyl)piperidine-3-carboxylic acid (CID 81126614) is (3R)-1-(3,4-dihydro-2H-chromene-3-carbonyl)piperidine-3-carboxylic acid.
What is the SMILES notation for (3R)-1-(3,4-dihydro-2H-chromene-3-carbonyl)piperidine-3-carboxylic acid?
The canonical SMILES for (3R)-1-(3,4-dihydro-2H-chromene-3-carbonyl)piperidine-3-carboxylic acid is O=C(O)[C@@H]1CCCN(C(=O)C2COc3ccccc3C2)C1.
What is the InChIKey of (3R)-1-(3,4-dihydro-2H-chromene-3-carbonyl)piperidine-3-carboxylic acid?
The InChIKey is UUPQZBNLBWYDKJ-PZORYLMUSA-N. The full InChI is InChI=1S/C16H19NO4/c18-15(17-7-3-5-12(9-17)16(19)20)13-8-11-4-1-2-6-14(11)21-10-13/h1-2,4,6,12-13H,3,5,7-10H2,(H,19,20)/t12-,13?/m1/s1.
What are the key properties of (3R)-1-(3,4-dihydro-2H-chromene-3-carbonyl)piperidine-3-carboxylic acid?
(3R)-1-(3,4-dihydro-2H-chromene-3-carbonyl)piperidine-3-carboxylic acid has a molecular weight of 289.33 g/mol, XLogP of 1.56, 2 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (3R)-1-(3,4-dihydro-2H-chromene-3-carbonyl)piperidine-3-carboxylic acid is sourced from PubChem (CID 81126614), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).