6-[4-[(S)-(6-fluoro-3-pyridinyl)-phenylmethyl]piperidine-1-carbonyl]-4H-chromen-3-one;6-[4-[(R)-(6-fluoro-3-pyridinyl)-phenylmethyl]piperidine-1-carbonyl]-4H-chromen-3-one

C54H50F2N4O6 — CID 159500601

IUPAC6-[4-[(S)-(6-fluoro-3-pyridinyl)-phenylmethyl]piperidine-1-carbonyl]-4H-chromen-3-one;6-[4-[(R)-(6-fluoro-3-pyridinyl)-phenylmethyl]piperidine-1-carbonyl]-4H-chromen-3-one
SMILESO=C1COc2ccc(C(=O)N3CCC([C@@H](c4ccccc4)c4ccc(F)nc4)CC3)cc2C1.O=C1COc2ccc(C(=O)N3CCC([C@H](c4ccccc4)c4ccc(F)nc4)CC3)cc2C1
InChIInChI=1S/2C27H25FN2O3/c2*28-25-9-7-21(16-29-25)26(18-4-2-1-3-5-18)19-10-12-30(13-11-19)27(32)20-6-8-24-22(14-20)15-23(31)17-33-24/h2*1-9,14,16,19,26H,10-13,15,17H2/t2*26-/m10/s1
InChIKeyLZIMXLMUDJATRV-UVZIVPAYSA-N
MW889.01 g/mol
LogP8.82
Rot. Bonds8

About 6-[4-[(S)-(6-fluoro-3-pyridinyl)-phenylmethyl]piperidine-1-carbonyl]-4H-chromen-3-one;6-[4-[(R)-(6-fluoro-3-pyridinyl)-phenylmethyl]piperidine-1-carbonyl]-4H-chromen-3-one

6-[4-[(S)-(6-fluoro-3-pyridinyl)-phenylmethyl]piperidine-1-carbonyl]-4H-chromen-3-one;6-[4-[(R)-(6-fluoro-3-pyridinyl)-phenylmethyl]piperidine-1-carbonyl]-4H-chromen-3-one (PubChem CID 159500601) has the molecular formula C54H50F2N4O6 and a molecular weight of 889.01 g/mol. Its IUPAC name is 6-[4-[(S)-(6-fluoro-3-pyridinyl)-phenylmethyl]piperidine-1-carbonyl]-4H-chromen-3-one;6-[4-[(R)-(6-fluoro-3-pyridinyl)-phenylmethyl]piperidine-1-carbonyl]-4H-chromen-3-one.

Molecular Properties

Compound Name6-[4-[(S)-(6-fluoro-3-pyridinyl)-phenylmethyl]piperidine-1-carbonyl]-4H-chromen-3-one;6-[4-[(R)-(6-fluoro-3-pyridinyl)-phenylmethyl]piperidine-1-carbonyl]-4H-chromen-3-one
PubChem CID159500601
Molecular FormulaC54H50F2N4O6
Molecular Weight889.01 g/mol
Exact Mass888.37
IUPAC Name6-[4-[(S)-(6-fluoro-3-pyridinyl)-phenylmethyl]piperidine-1-carbonyl]-4H-chromen-3-one;6-[4-[(R)-(6-fluoro-3-pyridinyl)-phenylmethyl]piperidine-1-carbonyl]-4H-chromen-3-one
SMILESO=C1COc2ccc(C(=O)N3CCC([C@@H](c4ccccc4)c4ccc(F)nc4)CC3)cc2C1.O=C1COc2ccc(C(=O)N3CCC([C@H](c4ccccc4)c4ccc(F)nc4)CC3)cc2C1
InChIInChI=1S/2C27H25FN2O3/c2*28-25-9-7-21(16-29-25)26(18-4-2-1-3-5-18)19-10-12-30(13-11-19)27(32)20-6-8-24-22(14-20)15-23(31)17-33-24/h2*1-9,14,16,19,26H,10-13,15,17H2/t2*26-/m10/s1
InChIKeyLZIMXLMUDJATRV-UVZIVPAYSA-N
XLogP8.82
TPSA119.00 Ų
H-Bond Donors
H-Bond Acceptors8
Rotatable Bonds8
Heavy Atoms66
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500889.01
LogP ≤ 58.82
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 108

Computed Properties (RDKit)

Structural Alerts{'alert_name': '2-halo_pyridine', 'substructure': 'N/A'}

Analyze 6-[4-[(S)-(6-fluoro-3-pyridinyl)-phenylmethyl]piperidine-1-carbonyl]-4H-chromen-3-one;6-[4-[(R)-(6-fluoro-3-pyridinyl)-phenylmethyl]piperidine-1-carbonyl]-4H-chromen-3-one with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

6-[4-[(R)-(3-methoxyphenyl)-phenylmethyl]piperidine-1-carbonyl]-4H-chromen-3-one
CID 161120647
6-[4-[(S)-(3-methylsulfonylphenyl)-phenylmethyl]piperidine-1-carbonyl]-4H-chromen-3-one;6-[4-[(R)-(3-methylsulfonylphenyl)-phenylmethyl]piperidine-1-carbonyl]-4H-chromen-3-one
CID 158991240
6-[4-[bis(4-fluorophenyl)methyl]piperazine-1-carbonyl]-4H-chromen-3-one
CID 158563399
6-[4-[(S)-[4-(2-fluoroethoxy)phenyl]-phenylmethyl]piperidine-1-carbonyl]-4H-1,4-benzoxazin-3-one
CID 155162884
6-[4-[(R)-(4-methylphenyl)-phenylmethyl]piperidine-1-carbonyl]-4H-1,4-benzoxazin-3-one
CID 150432761
2-[[1-(3-oxo-4H-chromene-6-carbonyl)piperidin-4-yl]methoxy]benzonitrile
CID 146811975
6-[4-[(S)-[4-(2-fluoroethoxy)-3-methoxyphenyl]-phenylmethyl]piperidine-1-carbonyl]-4H-1,4-benzoxazin-3-one
CID 150785554
6-[4-[(S)-[3-(2-fluoroethoxy)phenyl]-(4-fluorophenyl)methyl]piperidine-1-carbonyl]-4H-1,4-benzoxazin-3-one
CID 151768251
6-[4-(6-chloro-1H-indol-2-yl)piperidine-1-carbonyl]-4H-chromen-3-one
CID 159184746
6-[4-[(R)-(3,4-dimethoxyphenyl)-pyridin-4-ylmethyl]piperidine-1-carbonyl]-4H-1,4-benzoxazin-3-one
CID 151634796
[4-[(4-chlorophenyl)-phenylmethyl]piperazin-1-yl]-(6-fluoro-3-pyridinyl)methanone
CID 166403271
6-[4-[(2-chloro-6-fluorophenoxy)methyl]piperidine-1-carbonyl]-4H-pyrano[2,3-b]pyridin-3-one
CID 160934645

Frequently Asked Questions

What is the IUPAC name of 6-[4-[(S)-(6-fluoro-3-pyridinyl)-phenylmethyl]piperidine-1-carbonyl]-4H-chromen-3-one;6-[4-[(R)-(6-fluoro-3-pyridinyl)-phenylmethyl]piperidine-1-carbonyl]-4H-chromen-3-one?
The IUPAC name of 6-[4-[(S)-(6-fluoro-3-pyridinyl)-phenylmethyl]piperidine-1-carbonyl]-4H-chromen-3-one;6-[4-[(R)-(6-fluoro-3-pyridinyl)-phenylmethyl]piperidine-1-carbonyl]-4H-chromen-3-one (CID 159500601) is 6-[4-[(S)-(6-fluoro-3-pyridinyl)-phenylmethyl]piperidine-1-carbonyl]-4H-chromen-3-one;6-[4-[(R)-(6-fluoro-3-pyridinyl)-phenylmethyl]piperidine-1-carbonyl]-4H-chromen-3-one.
What is the SMILES notation for 6-[4-[(S)-(6-fluoro-3-pyridinyl)-phenylmethyl]piperidine-1-carbonyl]-4H-chromen-3-one;6-[4-[(R)-(6-fluoro-3-pyridinyl)-phenylmethyl]piperidine-1-carbonyl]-4H-chromen-3-one?
The canonical SMILES for 6-[4-[(S)-(6-fluoro-3-pyridinyl)-phenylmethyl]piperidine-1-carbonyl]-4H-chromen-3-one;6-[4-[(R)-(6-fluoro-3-pyridinyl)-phenylmethyl]piperidine-1-carbonyl]-4H-chromen-3-one is O=C1COc2ccc(C(=O)N3CCC([C@@H](c4ccccc4)c4ccc(F)nc4)CC3)cc2C1.O=C1COc2ccc(C(=O)N3CCC([C@H](c4ccccc4)c4ccc(F)nc4)CC3)cc2C1.
What is the InChIKey of 6-[4-[(S)-(6-fluoro-3-pyridinyl)-phenylmethyl]piperidine-1-carbonyl]-4H-chromen-3-one;6-[4-[(R)-(6-fluoro-3-pyridinyl)-phenylmethyl]piperidine-1-carbonyl]-4H-chromen-3-one?
The InChIKey is LZIMXLMUDJATRV-UVZIVPAYSA-N. The full InChI is InChI=1S/2C27H25FN2O3/c2*28-25-9-7-21(16-29-25)26(18-4-2-1-3-5-18)19-10-12-30(13-11-19)27(32)20-6-8-24-22(14-20)15-23(31)17-33-24/h2*1-9,14,16,19,26H,10-13,15,17H2/t2*26-/m10/s1.
What are the key properties of 6-[4-[(S)-(6-fluoro-3-pyridinyl)-phenylmethyl]piperidine-1-carbonyl]-4H-chromen-3-one;6-[4-[(R)-(6-fluoro-3-pyridinyl)-phenylmethyl]piperidine-1-carbonyl]-4H-chromen-3-one?
6-[4-[(S)-(6-fluoro-3-pyridinyl)-phenylmethyl]piperidine-1-carbonyl]-4H-chromen-3-one;6-[4-[(R)-(6-fluoro-3-pyridinyl)-phenylmethyl]piperidine-1-carbonyl]-4H-chromen-3-one has a molecular weight of 889.01 g/mol, XLogP of 8.82, 8 rotatable bonds, 0 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for 6-[4-[(S)-(6-fluoro-3-pyridinyl)-phenylmethyl]piperidine-1-carbonyl]-4H-chromen-3-one;6-[4-[(R)-(6-fluoro-3-pyridinyl)-phenylmethyl]piperidine-1-carbonyl]-4H-chromen-3-one is sourced from PubChem (CID 159500601), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).