1-[(1S)-1-[4-(5-fluoro-3-pyridinyl)phenyl]ethyl]-4-(3-hydroxypropyl)-4-phenylpiperidin-2-one

C27H29FN2O2 — CID 67104742

IUPAC1-[(1S)-1-[4-(5-fluoro-3-pyridinyl)phenyl]ethyl]-4-(3-hydroxypropyl)-4-phenylpiperidin-2-one
SMILESC[C@@H](c1ccc(-c2cncc(F)c2)cc1)N1CCC(CCCO)(c2ccccc2)CC1=O
InChIInChI=1S/C27H29FN2O2/c1-20(21-8-10-22(11-9-21)23-16-25(28)19-29-18-23)30-14-13-27(12-5-15-31,17-26(30)32)24-6-3-2-4-7-24/h2-4,6-11,16,18-20,31H,5,12-15,17H2,1H3/t20-,27?/m0/s1
InChIKeyUYKZWYZWZLMTGB-SVQMELKDSA-N
MW432.54 g/mol
LogP5.28
Rot. Bonds7

About 1-[(1S)-1-[4-(5-fluoro-3-pyridinyl)phenyl]ethyl]-4-(3-hydroxypropyl)-4-phenylpiperidin-2-one

1-[(1S)-1-[4-(5-fluoro-3-pyridinyl)phenyl]ethyl]-4-(3-hydroxypropyl)-4-phenylpiperidin-2-one (PubChem CID 67104742) has the molecular formula C27H29FN2O2 and a molecular weight of 432.54 g/mol. Its IUPAC name is 1-[(1S)-1-[4-(5-fluoro-3-pyridinyl)phenyl]ethyl]-4-(3-hydroxypropyl)-4-phenylpiperidin-2-one.

Molecular Properties

Compound Name1-[(1S)-1-[4-(5-fluoro-3-pyridinyl)phenyl]ethyl]-4-(3-hydroxypropyl)-4-phenylpiperidin-2-one
PubChem CID67104742
Molecular FormulaC27H29FN2O2
Molecular Weight432.54 g/mol
Exact Mass432.22
IUPAC Name1-[(1S)-1-[4-(5-fluoro-3-pyridinyl)phenyl]ethyl]-4-(3-hydroxypropyl)-4-phenylpiperidin-2-one
SMILESC[C@@H](c1ccc(-c2cncc(F)c2)cc1)N1CCC(CCCO)(c2ccccc2)CC1=O
InChIInChI=1S/C27H29FN2O2/c1-20(21-8-10-22(11-9-21)23-16-25(28)19-29-18-23)30-14-13-27(12-5-15-31,17-26(30)32)24-6-3-2-4-7-24/h2-4,6-11,16,18-20,31H,5,12-15,17H2,1H3/t20-,27?/m0/s1
InChIKeyUYKZWYZWZLMTGB-SVQMELKDSA-N
XLogP5.28
TPSA53.43 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds7
Heavy Atoms32
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500432.54
LogP ≤ 55.28
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Analyze 1-[(1S)-1-[4-(5-fluoro-3-pyridinyl)phenyl]ethyl]-4-(3-hydroxypropyl)-4-phenylpiperidin-2-one with MolForge

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

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of 1-[(1S)-1-[4-(5-fluoro-3-pyridinyl)phenyl]ethyl]-4-(3-hydroxypropyl)-4-phenylpiperidin-2-one?
The IUPAC name of 1-[(1S)-1-[4-(5-fluoro-3-pyridinyl)phenyl]ethyl]-4-(3-hydroxypropyl)-4-phenylpiperidin-2-one (CID 67104742) is 1-[(1S)-1-[4-(5-fluoro-3-pyridinyl)phenyl]ethyl]-4-(3-hydroxypropyl)-4-phenylpiperidin-2-one.
What is the SMILES notation for 1-[(1S)-1-[4-(5-fluoro-3-pyridinyl)phenyl]ethyl]-4-(3-hydroxypropyl)-4-phenylpiperidin-2-one?
The canonical SMILES for 1-[(1S)-1-[4-(5-fluoro-3-pyridinyl)phenyl]ethyl]-4-(3-hydroxypropyl)-4-phenylpiperidin-2-one is C[C@@H](c1ccc(-c2cncc(F)c2)cc1)N1CCC(CCCO)(c2ccccc2)CC1=O.
What is the InChIKey of 1-[(1S)-1-[4-(5-fluoro-3-pyridinyl)phenyl]ethyl]-4-(3-hydroxypropyl)-4-phenylpiperidin-2-one?
The InChIKey is UYKZWYZWZLMTGB-SVQMELKDSA-N. The full InChI is InChI=1S/C27H29FN2O2/c1-20(21-8-10-22(11-9-21)23-16-25(28)19-29-18-23)30-14-13-27(12-5-15-31,17-26(30)32)24-6-3-2-4-7-24/h2-4,6-11,16,18-20,31H,5,12-15,17H2,1H3/t20-,27?/m0/s1.
What are the key properties of 1-[(1S)-1-[4-(5-fluoro-3-pyridinyl)phenyl]ethyl]-4-(3-hydroxypropyl)-4-phenylpiperidin-2-one?
1-[(1S)-1-[4-(5-fluoro-3-pyridinyl)phenyl]ethyl]-4-(3-hydroxypropyl)-4-phenylpiperidin-2-one has a molecular weight of 432.54 g/mol, XLogP of 5.28, 7 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[(1S)-1-[4-(5-fluoro-3-pyridinyl)phenyl]ethyl]-4-(3-hydroxypropyl)-4-phenylpiperidin-2-one is sourced from PubChem (CID 67104742), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).