1-(2H-chromene-3-carbonyl)-4-hydroxypiperidine-4-carboxylic acid

C16H17NO5 — CID 119251080

IUPAC1-(2H-chromene-3-carbonyl)-4-hydroxypiperidine-4-carboxylic acid
SMILESO=C(C1=Cc2ccccc2OC1)N1CCC(O)(C(=O)O)CC1
InChIInChI=1S/C16H17NO5/c18-14(17-7-5-16(21,6-8-17)15(19)20)12-9-11-3-1-2-4-13(11)22-10-12/h1-4,9,21H,5-8,10H2,(H,19,20)
InChIKeyXPACZTOBUHSIPL-UHFFFAOYSA-N
MW303.31 g/mol
LogP0.90
Rot. Bonds2

About 1-(2H-chromene-3-carbonyl)-4-hydroxypiperidine-4-carboxylic acid

1-(2H-chromene-3-carbonyl)-4-hydroxypiperidine-4-carboxylic acid (PubChem CID 119251080) has the molecular formula C16H17NO5 and a molecular weight of 303.31 g/mol. Its IUPAC name is 1-(2H-chromene-3-carbonyl)-4-hydroxypiperidine-4-carboxylic acid.

Molecular Properties

Compound Name1-(2H-chromene-3-carbonyl)-4-hydroxypiperidine-4-carboxylic acid
PubChem CID119251080
Molecular FormulaC16H17NO5
Molecular Weight303.31 g/mol
Exact Mass303.11
IUPAC Name1-(2H-chromene-3-carbonyl)-4-hydroxypiperidine-4-carboxylic acid
SMILESO=C(C1=Cc2ccccc2OC1)N1CCC(O)(C(=O)O)CC1
InChIInChI=1S/C16H17NO5/c18-14(17-7-5-16(21,6-8-17)15(19)20)12-9-11-3-1-2-4-13(11)22-10-12/h1-4,9,21H,5-8,10H2,(H,19,20)
InChIKeyXPACZTOBUHSIPL-UHFFFAOYSA-N
XLogP0.90
TPSA87.07 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500303.31
LogP ≤ 50.90
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

(4-aminopiperidin-1-yl)-(2H-chromen-3-yl)methanone;hydrochloride
CID 119373372
[4-(2H-chromene-3-carbonyl)piperazin-1-yl]-cyclopentylmethanone
CID 36513567
azepan-1-yl-[1-(2H-chromene-3-carbonyl)piperidin-4-yl]methanone
CID 17475798
2H-chromen-3-yl-[(3S)-3-methylpiperidin-1-yl]methanone
CID 36706766
[4-[(4-chlorophenyl)methyl]piperazin-1-yl]-(2H-chromen-3-yl)methanone
CID 26810605
2H-chromen-3-yl-[4-(2-methylsulfonylethyl)piperazin-1-yl]methanone
CID 95753378
2H-chromen-3-yl-[4-[3-(trifluoromethyl)benzoyl]piperazin-1-yl]methanone
CID 55746812
2H-chromen-3-yl-(4-propylsulfonylpiperazin-1-yl)methanone
CID 75538257
1-(2H-chromene-3-carbonyl)-N-propan-2-ylpiperidine-4-carboxamide
CID 91953975
[4-[(5-chlorothiophen-2-yl)methyl]piperazin-1-yl]-(2H-chromen-3-yl)methanone
CID 55395560
2-[4-(2H-chromene-3-carbonyl)piperazin-1-yl]-N-(4-fluorophenyl)acetamide
CID 26816176
2H-chromen-3-yl-[4-(4-methylphenyl)sulfonyl-1,4-diazepan-1-yl]methanone
CID 33183639

Frequently Asked Questions

What is the IUPAC name of 1-(2H-chromene-3-carbonyl)-4-hydroxypiperidine-4-carboxylic acid?
The IUPAC name of 1-(2H-chromene-3-carbonyl)-4-hydroxypiperidine-4-carboxylic acid (CID 119251080) is 1-(2H-chromene-3-carbonyl)-4-hydroxypiperidine-4-carboxylic acid.
What is the SMILES notation for 1-(2H-chromene-3-carbonyl)-4-hydroxypiperidine-4-carboxylic acid?
The canonical SMILES for 1-(2H-chromene-3-carbonyl)-4-hydroxypiperidine-4-carboxylic acid is O=C(C1=Cc2ccccc2OC1)N1CCC(O)(C(=O)O)CC1.
What is the InChIKey of 1-(2H-chromene-3-carbonyl)-4-hydroxypiperidine-4-carboxylic acid?
The InChIKey is XPACZTOBUHSIPL-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H17NO5/c18-14(17-7-5-16(21,6-8-17)15(19)20)12-9-11-3-1-2-4-13(11)22-10-12/h1-4,9,21H,5-8,10H2,(H,19,20).
What are the key properties of 1-(2H-chromene-3-carbonyl)-4-hydroxypiperidine-4-carboxylic acid?
1-(2H-chromene-3-carbonyl)-4-hydroxypiperidine-4-carboxylic acid has a molecular weight of 303.31 g/mol, XLogP of 0.90, 2 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(2H-chromene-3-carbonyl)-4-hydroxypiperidine-4-carboxylic acid is sourced from PubChem (CID 119251080), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).