8-(4-hydroxypiperidine-1-carbonyl)-3-methyl-2-phenylchromen-4-one

C22H21NO4 — CID 78802519

IUPAC8-(4-hydroxypiperidine-1-carbonyl)-3-methyl-2-phenylchromen-4-one
SMILESCc1c(-c2ccccc2)oc2c(C(=O)N3CCC(O)CC3)cccc2c1=O
InChIInChI=1S/C22H21NO4/c1-14-19(25)17-8-5-9-18(22(26)23-12-10-16(24)11-13-23)21(17)27-20(14)15-6-3-2-4-7-15/h2-9,16,24H,10-13H2,1H3
InChIKeyWNFGAJGFCGEQHP-UHFFFAOYSA-N
MW363.41 g/mol
LogP3.37
Rot. Bonds2

About 8-(4-hydroxypiperidine-1-carbonyl)-3-methyl-2-phenylchromen-4-one

8-(4-hydroxypiperidine-1-carbonyl)-3-methyl-2-phenylchromen-4-one (PubChem CID 78802519) has the molecular formula C22H21NO4 and a molecular weight of 363.41 g/mol. Its IUPAC name is 8-(4-hydroxypiperidine-1-carbonyl)-3-methyl-2-phenylchromen-4-one.

Molecular Properties

Compound Name8-(4-hydroxypiperidine-1-carbonyl)-3-methyl-2-phenylchromen-4-one
PubChem CID78802519
Molecular FormulaC22H21NO4
Molecular Weight363.41 g/mol
Exact Mass363.15
IUPAC Name8-(4-hydroxypiperidine-1-carbonyl)-3-methyl-2-phenylchromen-4-one
SMILESCc1c(-c2ccccc2)oc2c(C(=O)N3CCC(O)CC3)cccc2c1=O
InChIInChI=1S/C22H21NO4/c1-14-19(25)17-8-5-9-18(22(26)23-12-10-16(24)11-13-23)21(17)27-20(14)15-6-3-2-4-7-15/h2-9,16,24H,10-13H2,1H3
InChIKeyWNFGAJGFCGEQHP-UHFFFAOYSA-N
XLogP3.37
TPSA70.75 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500363.41
LogP ≤ 53.37
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

1-(3-methyl-4-oxo-2-phenylchromene-8-carbonyl)piperidine-4-carboxylic acid
CID 119166358
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-benzylpiperazin-4-ium-1-carbonyl)-3-methyl-2-phenylchromen-4-one
CID 2406363
8-[4-(4-ethylbenzoyl)piperazine-1-carbonyl]-3-methyl-2-phenylchromen-4-one
CID 32769378
8-[4-(3-chlorophenyl)piperazine-1-carbonyl]-3-methyl-2-phenylchromen-4-one
CID 26696208
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
N-tert-butyl-2-[4-(3-methyl-4-oxo-2-phenylchromene-8-carbonyl)-1,4-diazepan-1-yl]acetamide
CID 29479515
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 8-(4-hydroxypiperidine-1-carbonyl)-3-methyl-2-phenylchromen-4-one?
The IUPAC name of 8-(4-hydroxypiperidine-1-carbonyl)-3-methyl-2-phenylchromen-4-one (CID 78802519) is 8-(4-hydroxypiperidine-1-carbonyl)-3-methyl-2-phenylchromen-4-one.
What is the SMILES notation for 8-(4-hydroxypiperidine-1-carbonyl)-3-methyl-2-phenylchromen-4-one?
The canonical SMILES for 8-(4-hydroxypiperidine-1-carbonyl)-3-methyl-2-phenylchromen-4-one is Cc1c(-c2ccccc2)oc2c(C(=O)N3CCC(O)CC3)cccc2c1=O.
What is the InChIKey of 8-(4-hydroxypiperidine-1-carbonyl)-3-methyl-2-phenylchromen-4-one?
The InChIKey is WNFGAJGFCGEQHP-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H21NO4/c1-14-19(25)17-8-5-9-18(22(26)23-12-10-16(24)11-13-23)21(17)27-20(14)15-6-3-2-4-7-15/h2-9,16,24H,10-13H2,1H3.
What are the key properties of 8-(4-hydroxypiperidine-1-carbonyl)-3-methyl-2-phenylchromen-4-one?
8-(4-hydroxypiperidine-1-carbonyl)-3-methyl-2-phenylchromen-4-one has a molecular weight of 363.41 g/mol, XLogP of 3.37, 2 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 8-(4-hydroxypiperidine-1-carbonyl)-3-methyl-2-phenylchromen-4-one is sourced from PubChem (CID 78802519), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).