1-(3-methyl-4-oxo-2-phenylchromene-8-carbonyl)piperidine-4-carboxylic acid

C23H21NO5 — CID 119166358

IUPAC1-(3-methyl-4-oxo-2-phenylchromene-8-carbonyl)piperidine-4-carboxylic acid
SMILESCc1c(-c2ccccc2)oc2c(C(=O)N3CCC(C(=O)O)CC3)cccc2c1=O
InChIInChI=1S/C23H21NO5/c1-14-19(25)17-8-5-9-18(21(17)29-20(14)15-6-3-2-4-7-15)22(26)24-12-10-16(11-13-24)23(27)28/h2-9,16H,10-13H2,1H3,(H,27,28)
InChIKeyFCYPCGIYMAJCNK-UHFFFAOYSA-N
MW391.42 g/mol
LogP3.71
Rot. Bonds3

About 1-(3-methyl-4-oxo-2-phenylchromene-8-carbonyl)piperidine-4-carboxylic acid

1-(3-methyl-4-oxo-2-phenylchromene-8-carbonyl)piperidine-4-carboxylic acid (PubChem CID 119166358) has the molecular formula C23H21NO5 and a molecular weight of 391.42 g/mol. Its IUPAC name is 1-(3-methyl-4-oxo-2-phenylchromene-8-carbonyl)piperidine-4-carboxylic acid.

Molecular Properties

Compound Name1-(3-methyl-4-oxo-2-phenylchromene-8-carbonyl)piperidine-4-carboxylic acid
PubChem CID119166358
Molecular FormulaC23H21NO5
Molecular Weight391.42 g/mol
Exact Mass391.14
IUPAC Name1-(3-methyl-4-oxo-2-phenylchromene-8-carbonyl)piperidine-4-carboxylic acid
SMILESCc1c(-c2ccccc2)oc2c(C(=O)N3CCC(C(=O)O)CC3)cccc2c1=O
InChIInChI=1S/C23H21NO5/c1-14-19(25)17-8-5-9-18(21(17)29-20(14)15-6-3-2-4-7-15)22(26)24-12-10-16(11-13-24)23(27)28/h2-9,16H,10-13H2,1H3,(H,27,28)
InChIKeyFCYPCGIYMAJCNK-UHFFFAOYSA-N
XLogP3.71
TPSA87.82 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500391.42
LogP ≤ 53.71
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

8-(4-hydroxypiperidine-1-carbonyl)-3-methyl-2-phenylchromen-4-one
CID 78802519
8-(azepane-1-carbonyl)-3-methyl-2-phenylchromen-4-one
CID 18108125
3-methyl-8-[3-(methylamino)pyrrolidine-1-carbonyl]-2-phenylchromen-4-one
CID 75469313
8-(1,3-dihydroisoindole-2-carbonyl)-3-methyl-2-phenylchromen-4-one
CID 166196840
8-[4-(4-fluorobenzoyl)piperazine-1-carbonyl]-3-methyl-2-phenylchromen-4-one
CID 36505981
8-[4-(3-chlorophenyl)piperazine-1-carbonyl]-3-methyl-2-phenylchromen-4-one
CID 26696208
8-[4-(4-ethylbenzoyl)piperazine-1-carbonyl]-3-methyl-2-phenylchromen-4-one
CID 32769378
8-(4-benzylpiperazin-4-ium-1-carbonyl)-3-methyl-2-phenylchromen-4-one
CID 2406363
8-[3-(1-aminoethyl)piperidine-1-carbonyl]-3-methyl-2-phenylchromen-4-one
CID 119595081
8-(7,7-difluoro-6-methyl-3-azabicyclo[4.1.0]heptane-3-carbonyl)-3-methyl-2-phenylchromen-4-one
CID 166195760
7-amino-2-(3-methyl-4-oxo-2-phenylchromene-8-carbonyl)-1,3,4,7,8,8a-hexahydropyrrolo[1,2-a]pyrazin-6-one
CID 166242478
tert-butyl 4-[(3-methyl-4-oxo-2-phenylchromene-8-carbonyl)amino]piperidine-1-carboxylate
CID 60560484

Frequently Asked Questions

What is the IUPAC name of 1-(3-methyl-4-oxo-2-phenylchromene-8-carbonyl)piperidine-4-carboxylic acid?
The IUPAC name of 1-(3-methyl-4-oxo-2-phenylchromene-8-carbonyl)piperidine-4-carboxylic acid (CID 119166358) is 1-(3-methyl-4-oxo-2-phenylchromene-8-carbonyl)piperidine-4-carboxylic acid.
What is the SMILES notation for 1-(3-methyl-4-oxo-2-phenylchromene-8-carbonyl)piperidine-4-carboxylic acid?
The canonical SMILES for 1-(3-methyl-4-oxo-2-phenylchromene-8-carbonyl)piperidine-4-carboxylic acid is Cc1c(-c2ccccc2)oc2c(C(=O)N3CCC(C(=O)O)CC3)cccc2c1=O.
What is the InChIKey of 1-(3-methyl-4-oxo-2-phenylchromene-8-carbonyl)piperidine-4-carboxylic acid?
The InChIKey is FCYPCGIYMAJCNK-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H21NO5/c1-14-19(25)17-8-5-9-18(21(17)29-20(14)15-6-3-2-4-7-15)22(26)24-12-10-16(11-13-24)23(27)28/h2-9,16H,10-13H2,1H3,(H,27,28).
What are the key properties of 1-(3-methyl-4-oxo-2-phenylchromene-8-carbonyl)piperidine-4-carboxylic acid?
1-(3-methyl-4-oxo-2-phenylchromene-8-carbonyl)piperidine-4-carboxylic acid has a molecular weight of 391.42 g/mol, XLogP of 3.71, 3 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(3-methyl-4-oxo-2-phenylchromene-8-carbonyl)piperidine-4-carboxylic acid is sourced from PubChem (CID 119166358), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).