7-hydroxy-2-methyl-8-[[(3S)-3-methylpiperidin-1-yl]methyl]-3-phenylchromen-4-one

C23H25NO3 — CID 7529905

IUPAC7-hydroxy-2-methyl-8-[[(3S)-3-methylpiperidin-1-yl]methyl]-3-phenylchromen-4-one
SMILESCc1oc2c(CN3CCC[C@H](C)C3)c(O)ccc2c(=O)c1-c1ccccc1
InChIInChI=1S/C23H25NO3/c1-15-7-6-12-24(13-15)14-19-20(25)11-10-18-22(26)21(16(2)27-23(18)19)17-8-4-3-5-9-17/h3-5,8-11,15,25H,6-7,12-14H2,1-2H3/t15-/m0/s1
InChIKeyULLJHZIGKGQYED-HNNXBMFYSA-N
MW363.46 g/mol
LogP4.71
Rot. Bonds3

About 7-hydroxy-2-methyl-8-[[(3S)-3-methylpiperidin-1-yl]methyl]-3-phenylchromen-4-one

7-hydroxy-2-methyl-8-[[(3S)-3-methylpiperidin-1-yl]methyl]-3-phenylchromen-4-one (PubChem CID 7529905) has the molecular formula C23H25NO3 and a molecular weight of 363.46 g/mol. Its IUPAC name is 7-hydroxy-2-methyl-8-[[(3S)-3-methylpiperidin-1-yl]methyl]-3-phenylchromen-4-one.

Molecular Properties

Compound Name7-hydroxy-2-methyl-8-[[(3S)-3-methylpiperidin-1-yl]methyl]-3-phenylchromen-4-one
PubChem CID7529905
Molecular FormulaC23H25NO3
Molecular Weight363.46 g/mol
Exact Mass363.18
IUPAC Name7-hydroxy-2-methyl-8-[[(3S)-3-methylpiperidin-1-yl]methyl]-3-phenylchromen-4-one
SMILESCc1oc2c(CN3CCC[C@H](C)C3)c(O)ccc2c(=O)c1-c1ccccc1
InChIInChI=1S/C23H25NO3/c1-15-7-6-12-24(13-15)14-19-20(25)11-10-18-22(26)21(16(2)27-23(18)19)17-8-4-3-5-9-17/h3-5,8-11,15,25H,6-7,12-14H2,1-2H3/t15-/m0/s1
InChIKeyULLJHZIGKGQYED-HNNXBMFYSA-N
XLogP4.71
TPSA53.68 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500363.46
LogP ≤ 54.71
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'mannich_A(296)', 'substructure': 'N/A'}

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Related Compounds

7-hydroxy-2-methyl-3-phenyl-8-(piperidin-1-ylmethyl)chromen-4-one
CID 5361809
7-hydroxy-3-(2-methoxyphenyl)-2-methyl-8-[[(3R)-3-methylpiperidin-1-yl]methyl]chromen-4-one
CID 6346012
8-[[4-[(3S)-1,1-dioxothiolan-3-yl]piperazin-1-yl]methyl]-7-hydroxy-2-methyl-3-phenylchromen-4-one
CID 30013804
8-[(3,5-dimethylpiperidin-1-yl)methyl]-7-hydroxy-4-methyl-3-phenylchromen-2-one
CID 110275680
5,7-dihydroxy-6,8-bis[(3-methylpiperidin-1-yl)methyl]-2-phenylchromen-4-one
CID 3637360
7-hydroxy-3-methyl-2-phenyl-8-(piperidin-1-ylmethyl)chromen-4-one
CID 5361797
3-(4-chlorophenyl)-7-hydroxy-8-[[(3R)-3-methylpiperidin-1-yl]methyl]chromen-4-one
CID 5451612
7-hydroxy-3-(4-methoxyphenyl)-8-[[(3R)-3-methylpiperidin-1-yl]methyl]chromen-4-one
CID 6346016
8-hydroxy-7-[(3-methylpiperidin-1-yl)methyl]-[1]benzofuro[3,2-c]chromen-6-one
CID 155558033
3-(2,5-dimethylphenoxy)-7-hydroxy-8-[[(3R)-3-methylpiperidin-1-yl]methyl]-2-(trifluoromethyl)chromen-4-one
CID 7902679
5-hydroxy-2-methyl-4-[[(3R)-3-methylpiperidin-1-yl]methyl]-N-phenyl-1-benzofuran-3-carboxamide
CID 7540100
7-hydroxy-3-(4-methoxyphenoxy)-8-[[(3R)-3-methylpiperidin-1-yl]methyl]chromen-4-one
CID 7542252

Frequently Asked Questions

What is the IUPAC name of 7-hydroxy-2-methyl-8-[[(3S)-3-methylpiperidin-1-yl]methyl]-3-phenylchromen-4-one?
The IUPAC name of 7-hydroxy-2-methyl-8-[[(3S)-3-methylpiperidin-1-yl]methyl]-3-phenylchromen-4-one (CID 7529905) is 7-hydroxy-2-methyl-8-[[(3S)-3-methylpiperidin-1-yl]methyl]-3-phenylchromen-4-one.
What is the SMILES notation for 7-hydroxy-2-methyl-8-[[(3S)-3-methylpiperidin-1-yl]methyl]-3-phenylchromen-4-one?
The canonical SMILES for 7-hydroxy-2-methyl-8-[[(3S)-3-methylpiperidin-1-yl]methyl]-3-phenylchromen-4-one is Cc1oc2c(CN3CCC[C@H](C)C3)c(O)ccc2c(=O)c1-c1ccccc1.
What is the InChIKey of 7-hydroxy-2-methyl-8-[[(3S)-3-methylpiperidin-1-yl]methyl]-3-phenylchromen-4-one?
The InChIKey is ULLJHZIGKGQYED-HNNXBMFYSA-N. The full InChI is InChI=1S/C23H25NO3/c1-15-7-6-12-24(13-15)14-19-20(25)11-10-18-22(26)21(16(2)27-23(18)19)17-8-4-3-5-9-17/h3-5,8-11,15,25H,6-7,12-14H2,1-2H3/t15-/m0/s1.
What are the key properties of 7-hydroxy-2-methyl-8-[[(3S)-3-methylpiperidin-1-yl]methyl]-3-phenylchromen-4-one?
7-hydroxy-2-methyl-8-[[(3S)-3-methylpiperidin-1-yl]methyl]-3-phenylchromen-4-one has a molecular weight of 363.46 g/mol, XLogP of 4.71, 3 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 7-hydroxy-2-methyl-8-[[(3S)-3-methylpiperidin-1-yl]methyl]-3-phenylchromen-4-one is sourced from PubChem (CID 7529905), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).