6-[4-[(S)-(4-fluorophenyl)-(4-methylphenyl)methyl]piperidine-1-carbonyl]-4H-chromen-3-one;6-[4-[(R)-(4-fluorophenyl)-(4-methylphenyl)methyl]piperidine-1-carbonyl]-4H-chromen-3-one

C58H56F2N2O6 — CID 158561061

IUPAC6-[4-[(S)-(4-fluorophenyl)-(4-methylphenyl)methyl]piperidine-1-carbonyl]-4H-chromen-3-one;6-[4-[(R)-(4-fluorophenyl)-(4-methylphenyl)methyl]piperidine-1-carbonyl]-4H-chromen-3-one
SMILESCc1ccc([C@@H](c2ccc(F)cc2)C2CCN(C(=O)c3ccc4c(c3)CC(=O)CO4)CC2)cc1.Cc1ccc([C@H](c2ccc(F)cc2)C2CCN(C(=O)c3ccc4c(c3)CC(=O)CO4)CC2)cc1
InChIInChI=1S/2C29H28FNO3/c2*1-19-2-4-20(5-3-19)28(21-6-9-25(30)10-7-21)22-12-14-31(15-13-22)29(33)23-8-11-27-24(16-23)17-26(32)18-34-27/h2*2-11,16,22,28H,12-15,17-18H2,1H3/t2*28-/m10/s1
InChIKeyHQWUEJPSXPSTEJ-LUXZWJPBSA-N
MW915.09 g/mol
LogP10.64
Rot. Bonds8

About 6-[4-[(S)-(4-fluorophenyl)-(4-methylphenyl)methyl]piperidine-1-carbonyl]-4H-chromen-3-one;6-[4-[(R)-(4-fluorophenyl)-(4-methylphenyl)methyl]piperidine-1-carbonyl]-4H-chromen-3-one

6-[4-[(S)-(4-fluorophenyl)-(4-methylphenyl)methyl]piperidine-1-carbonyl]-4H-chromen-3-one;6-[4-[(R)-(4-fluorophenyl)-(4-methylphenyl)methyl]piperidine-1-carbonyl]-4H-chromen-3-one (PubChem CID 158561061) has the molecular formula C58H56F2N2O6 and a molecular weight of 915.09 g/mol. Its IUPAC name is 6-[4-[(S)-(4-fluorophenyl)-(4-methylphenyl)methyl]piperidine-1-carbonyl]-4H-chromen-3-one;6-[4-[(R)-(4-fluorophenyl)-(4-methylphenyl)methyl]piperidine-1-carbonyl]-4H-chromen-3-one.

Molecular Properties

Compound Name6-[4-[(S)-(4-fluorophenyl)-(4-methylphenyl)methyl]piperidine-1-carbonyl]-4H-chromen-3-one;6-[4-[(R)-(4-fluorophenyl)-(4-methylphenyl)methyl]piperidine-1-carbonyl]-4H-chromen-3-one
PubChem CID158561061
Molecular FormulaC58H56F2N2O6
Molecular Weight915.09 g/mol
Exact Mass914.41
IUPAC Name6-[4-[(S)-(4-fluorophenyl)-(4-methylphenyl)methyl]piperidine-1-carbonyl]-4H-chromen-3-one;6-[4-[(R)-(4-fluorophenyl)-(4-methylphenyl)methyl]piperidine-1-carbonyl]-4H-chromen-3-one
SMILESCc1ccc([C@@H](c2ccc(F)cc2)C2CCN(C(=O)c3ccc4c(c3)CC(=O)CO4)CC2)cc1.Cc1ccc([C@H](c2ccc(F)cc2)C2CCN(C(=O)c3ccc4c(c3)CC(=O)CO4)CC2)cc1
InChIInChI=1S/2C29H28FNO3/c2*1-19-2-4-20(5-3-19)28(21-6-9-25(30)10-7-21)22-12-14-31(15-13-22)29(33)23-8-11-27-24(16-23)17-26(32)18-34-27/h2*2-11,16,22,28H,12-15,17-18H2,1H3/t2*28-/m10/s1
InChIKeyHQWUEJPSXPSTEJ-LUXZWJPBSA-N
XLogP10.64
TPSA93.22 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds8
Heavy Atoms68
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500915.09
LogP ≤ 510.64
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

Analyze 6-[4-[(S)-(4-fluorophenyl)-(4-methylphenyl)methyl]piperidine-1-carbonyl]-4H-chromen-3-one;6-[4-[(R)-(4-fluorophenyl)-(4-methylphenyl)methyl]piperidine-1-carbonyl]-4H-chromen-3-one with MolForge

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Related Compounds

N-[4-[4-[1-(2-oxopropoxy)-5,6,7,8-tetrahydronaphthalen-2-yl]piperidin-1-yl]butyl]-4-[4-(trifluoromethyl)phenyl]benzamide
CID 44532825
N-(1-benzylpiperidin-4-yl)-4-butoxy-N-[(4-phenylphenyl)methyl]benzamide
CID 10280148
(2S)-2-tert-butoxy-2-[2-(3-fluoro-4-methoxy-benzoyl)-7-(8-fluoro-5-methyl-chroman-6-yl)-5,8-dimethyl-3,4-dihydro-1H-isoquinolin-6-yl]acetic acid
CID 129187806
(2S)-2-tert-butoxy-2-[7-(8-fluoro-5-methyl-chroman-6-yl)-2-(4-methoxy-3-methyl-benzoyl)-5,8-dimethyl-3,4-dihydro-1H-isoquinolin-6-yl]acetic acid
CID 129187823
1-[4-(4-Fluorobenzyloxy)-3-isobutylbenzoyl]-4-isobutylpiperazine
CID 9888723
1-[4-[3,5-Ditert-butyl-4-[2-(dimethylamino)ethoxy]benzoyl]piperazin-1-yl]-6,6-bis(4-fluorophenyl)hexan-1-one
CID 10349557
3-[4-[3-[[Methyl-(4-phenoxybenzoyl)amino]methyl]phenyl]-3-[[3-(trifluoromethyl)phenyl]methoxy]phenyl]propanoic acid
CID 11585442
[4-[(4-Fluorophenyl)methoxy]-3-(2-methylprop-2-enyl)phenyl]-[4-(2-methylpropyl)piperazin-1-yl]methanone
CID 18914201
1-[4-(3,4-Difluorobenzyloxy)-3-isobutylbenzoyl]-4-isobutylpiperazine
CID 18914212
[4-[(2-Fluorophenyl)methoxy]-3-(2-methylpropyl)phenyl]-[4-(2-methylpropyl)piperazin-1-yl]methanone
CID 18914213
[4-[(2-Fluoro-3-methylphenyl)methoxy]-3-(2-methylpropyl)phenyl]-[4-(2-methylpropyl)piperazin-1-yl]methanone
CID 18914219
1-[4-(2,4-Difluorobenzyloxy)-3-isobutylbenzoyl]-4-isobutylpiperazine
CID 18914223

Frequently Asked Questions

What is the IUPAC name of 6-[4-[(S)-(4-fluorophenyl)-(4-methylphenyl)methyl]piperidine-1-carbonyl]-4H-chromen-3-one;6-[4-[(R)-(4-fluorophenyl)-(4-methylphenyl)methyl]piperidine-1-carbonyl]-4H-chromen-3-one?
The IUPAC name of 6-[4-[(S)-(4-fluorophenyl)-(4-methylphenyl)methyl]piperidine-1-carbonyl]-4H-chromen-3-one;6-[4-[(R)-(4-fluorophenyl)-(4-methylphenyl)methyl]piperidine-1-carbonyl]-4H-chromen-3-one (CID 158561061) is 6-[4-[(S)-(4-fluorophenyl)-(4-methylphenyl)methyl]piperidine-1-carbonyl]-4H-chromen-3-one;6-[4-[(R)-(4-fluorophenyl)-(4-methylphenyl)methyl]piperidine-1-carbonyl]-4H-chromen-3-one.
What is the SMILES notation for 6-[4-[(S)-(4-fluorophenyl)-(4-methylphenyl)methyl]piperidine-1-carbonyl]-4H-chromen-3-one;6-[4-[(R)-(4-fluorophenyl)-(4-methylphenyl)methyl]piperidine-1-carbonyl]-4H-chromen-3-one?
The canonical SMILES for 6-[4-[(S)-(4-fluorophenyl)-(4-methylphenyl)methyl]piperidine-1-carbonyl]-4H-chromen-3-one;6-[4-[(R)-(4-fluorophenyl)-(4-methylphenyl)methyl]piperidine-1-carbonyl]-4H-chromen-3-one is Cc1ccc([C@@H](c2ccc(F)cc2)C2CCN(C(=O)c3ccc4c(c3)CC(=O)CO4)CC2)cc1.Cc1ccc([C@H](c2ccc(F)cc2)C2CCN(C(=O)c3ccc4c(c3)CC(=O)CO4)CC2)cc1.
What is the InChIKey of 6-[4-[(S)-(4-fluorophenyl)-(4-methylphenyl)methyl]piperidine-1-carbonyl]-4H-chromen-3-one;6-[4-[(R)-(4-fluorophenyl)-(4-methylphenyl)methyl]piperidine-1-carbonyl]-4H-chromen-3-one?
The InChIKey is HQWUEJPSXPSTEJ-LUXZWJPBSA-N. The full InChI is InChI=1S/2C29H28FNO3/c2*1-19-2-4-20(5-3-19)28(21-6-9-25(30)10-7-21)22-12-14-31(15-13-22)29(33)23-8-11-27-24(16-23)17-26(32)18-34-27/h2*2-11,16,22,28H,12-15,17-18H2,1H3/t2*28-/m10/s1.
What are the key properties of 6-[4-[(S)-(4-fluorophenyl)-(4-methylphenyl)methyl]piperidine-1-carbonyl]-4H-chromen-3-one;6-[4-[(R)-(4-fluorophenyl)-(4-methylphenyl)methyl]piperidine-1-carbonyl]-4H-chromen-3-one?
6-[4-[(S)-(4-fluorophenyl)-(4-methylphenyl)methyl]piperidine-1-carbonyl]-4H-chromen-3-one;6-[4-[(R)-(4-fluorophenyl)-(4-methylphenyl)methyl]piperidine-1-carbonyl]-4H-chromen-3-one has a molecular weight of 915.09 g/mol, XLogP of 10.64, 8 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 6-[4-[(S)-(4-fluorophenyl)-(4-methylphenyl)methyl]piperidine-1-carbonyl]-4H-chromen-3-one;6-[4-[(R)-(4-fluorophenyl)-(4-methylphenyl)methyl]piperidine-1-carbonyl]-4H-chromen-3-one is sourced from PubChem (CID 158561061), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).