7-hydroxy-2,2-diphenyl-8-[4-(piperidin-1-ylmethyl)phenyl]-[1,3]dioxolo[4,5-h]chromen-6-one

C34H29NO5 — CID 165142374

IUPAC7-hydroxy-2,2-diphenyl-8-[4-(piperidin-1-ylmethyl)phenyl]-[1,3]dioxolo[4,5-h]chromen-6-one
SMILESO=c1c(O)c(-c2ccc(CN3CCCCC3)cc2)oc2c3c(ccc12)OC(c1ccccc1)(c1ccccc1)O3
InChIInChI=1S/C34H29NO5/c36-29-27-18-19-28-33(40-34(39-28,25-10-4-1-5-11-25)26-12-6-2-7-13-26)32(27)38-31(30(29)37)24-16-14-23(15-17-24)22-35-20-8-3-9-21-35/h1-2,4-7,10-19,37H,3,8-9,20-22H2
InChIKeyPMZJBBCMZCFXNC-UHFFFAOYSA-N
MW531.61 g/mol
LogP6.82
Rot. Bonds5

About 7-hydroxy-2,2-diphenyl-8-[4-(piperidin-1-ylmethyl)phenyl]-[1,3]dioxolo[4,5-h]chromen-6-one

7-hydroxy-2,2-diphenyl-8-[4-(piperidin-1-ylmethyl)phenyl]-[1,3]dioxolo[4,5-h]chromen-6-one (PubChem CID 165142374) has the molecular formula C34H29NO5 and a molecular weight of 531.61 g/mol. Its IUPAC name is 7-hydroxy-2,2-diphenyl-8-[4-(piperidin-1-ylmethyl)phenyl]-[1,3]dioxolo[4,5-h]chromen-6-one.

Molecular Properties

Compound Name7-hydroxy-2,2-diphenyl-8-[4-(piperidin-1-ylmethyl)phenyl]-[1,3]dioxolo[4,5-h]chromen-6-one
PubChem CID165142374
Molecular FormulaC34H29NO5
Molecular Weight531.61 g/mol
Exact Mass531.20
IUPAC Name7-hydroxy-2,2-diphenyl-8-[4-(piperidin-1-ylmethyl)phenyl]-[1,3]dioxolo[4,5-h]chromen-6-one
SMILESO=c1c(O)c(-c2ccc(CN3CCCCC3)cc2)oc2c3c(ccc12)OC(c1ccccc1)(c1ccccc1)O3
InChIInChI=1S/C34H29NO5/c36-29-27-18-19-28-33(40-34(39-28,25-10-4-1-5-11-25)26-12-6-2-7-13-26)32(27)38-31(30(29)37)24-16-14-23(15-17-24)22-35-20-8-3-9-21-35/h1-2,4-7,10-19,37H,3,8-9,20-22H2
InChIKeyPMZJBBCMZCFXNC-UHFFFAOYSA-N
XLogP6.82
TPSA72.14 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds5
Heavy Atoms40
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500531.61
LogP ≤ 56.82
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

Analyze 7-hydroxy-2,2-diphenyl-8-[4-(piperidin-1-ylmethyl)phenyl]-[1,3]dioxolo[4,5-h]chromen-6-one with MolForge

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Related Compounds

8-[4-[2-(1-benzylpiperidin-4-yl)ethyl-methylamino]phenyl]-2,2-diphenyl-[1,3]dioxolo[4,5-h]chromen-6-one
CID 171546152
7-hydroxy-3-methyl-2-phenyl-8-(piperidin-1-ylmethyl)chromen-4-one
CID 5361797
2-[4-[4-[2-(1-benzylpiperidin-4-yl)ethyl-methylamino]butyl-methylamino]phenyl]-3,7-dihydroxy-8-methoxychromen-4-one
CID 164861320
1-benzylazepane
CID 10954328
1-[(4-phenylphenyl)methyl]piperidine-4-carboxylate
CID 164771735
7-hydroxy-2-methyl-3-phenyl-8-(piperidin-1-ylmethyl)chromen-4-one
CID 5361809
2-[4-(dimethylamino)phenyl]-3-hydroxybenzo[h]chromen-4-one
CID 2988186
3,7,8-trihydroxy-2-[4-[[2-(4-methylpiperazin-1-yl)ethylamino]methyl]phenyl]chromen-4-one
CID 164861209
4-[[4-[4-(piperidin-1-ylmethyl)phenyl]phenyl]methyl]morpholine
CID 44588214
1-[4-(piperidin-1-ylmethyl)phenyl]cyclohexane-1-carboxylic acid
CID 117485692
3-[4-oxo-1'-[(4-phenylphenyl)methyl]spiro[3H-chromene-2,4'-piperidine]-6-yl]prop-2-enoic acid
CID 66932571
3-hydroxy-2-phenylchromen-4-one;iron
CID 161072875

Frequently Asked Questions

What is the IUPAC name of 7-hydroxy-2,2-diphenyl-8-[4-(piperidin-1-ylmethyl)phenyl]-[1,3]dioxolo[4,5-h]chromen-6-one?
The IUPAC name of 7-hydroxy-2,2-diphenyl-8-[4-(piperidin-1-ylmethyl)phenyl]-[1,3]dioxolo[4,5-h]chromen-6-one (CID 165142374) is 7-hydroxy-2,2-diphenyl-8-[4-(piperidin-1-ylmethyl)phenyl]-[1,3]dioxolo[4,5-h]chromen-6-one.
What is the SMILES notation for 7-hydroxy-2,2-diphenyl-8-[4-(piperidin-1-ylmethyl)phenyl]-[1,3]dioxolo[4,5-h]chromen-6-one?
The canonical SMILES for 7-hydroxy-2,2-diphenyl-8-[4-(piperidin-1-ylmethyl)phenyl]-[1,3]dioxolo[4,5-h]chromen-6-one is O=c1c(O)c(-c2ccc(CN3CCCCC3)cc2)oc2c3c(ccc12)OC(c1ccccc1)(c1ccccc1)O3.
What is the InChIKey of 7-hydroxy-2,2-diphenyl-8-[4-(piperidin-1-ylmethyl)phenyl]-[1,3]dioxolo[4,5-h]chromen-6-one?
The InChIKey is PMZJBBCMZCFXNC-UHFFFAOYSA-N. The full InChI is InChI=1S/C34H29NO5/c36-29-27-18-19-28-33(40-34(39-28,25-10-4-1-5-11-25)26-12-6-2-7-13-26)32(27)38-31(30(29)37)24-16-14-23(15-17-24)22-35-20-8-3-9-21-35/h1-2,4-7,10-19,37H,3,8-9,20-22H2.
What are the key properties of 7-hydroxy-2,2-diphenyl-8-[4-(piperidin-1-ylmethyl)phenyl]-[1,3]dioxolo[4,5-h]chromen-6-one?
7-hydroxy-2,2-diphenyl-8-[4-(piperidin-1-ylmethyl)phenyl]-[1,3]dioxolo[4,5-h]chromen-6-one has a molecular weight of 531.61 g/mol, XLogP of 6.82, 5 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 7-hydroxy-2,2-diphenyl-8-[4-(piperidin-1-ylmethyl)phenyl]-[1,3]dioxolo[4,5-h]chromen-6-one is sourced from PubChem (CID 165142374), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).