1-[(2S)-2-[4-[(4-fluorophenyl)methyl]-4-hydroxypiperidine-1-carbonyl]-2,3-dihydroindol-1-yl]ethanone

C23H25FN2O3 — CID 139007877

IUPAC1-[(2S)-2-[4-[(4-fluorophenyl)methyl]-4-hydroxypiperidine-1-carbonyl]-2,3-dihydroindol-1-yl]ethanone
SMILESCC(=O)N1c2ccccc2C[C@H]1C(=O)N1CCC(O)(Cc2ccc(F)cc2)CC1
InChIInChI=1S/C23H25FN2O3/c1-16(27)26-20-5-3-2-4-18(20)14-21(26)22(28)25-12-10-23(29,11-13-25)15-17-6-8-19(24)9-7-17/h2-9,21,29H,10-15H2,1H3/t21-/m0/s1
InChIKeyBAXRSAZVUTWFSP-NRFANRHFSA-N
MW396.46 g/mol
LogP2.70
Rot. Bonds3

About 1-[(2S)-2-[4-[(4-fluorophenyl)methyl]-4-hydroxypiperidine-1-carbonyl]-2,3-dihydroindol-1-yl]ethanone

1-[(2S)-2-[4-[(4-fluorophenyl)methyl]-4-hydroxypiperidine-1-carbonyl]-2,3-dihydroindol-1-yl]ethanone (PubChem CID 139007877) has the molecular formula C23H25FN2O3 and a molecular weight of 396.46 g/mol. Its IUPAC name is 1-[(2S)-2-[4-[(4-fluorophenyl)methyl]-4-hydroxypiperidine-1-carbonyl]-2,3-dihydroindol-1-yl]ethanone.

Molecular Properties

Compound Name1-[(2S)-2-[4-[(4-fluorophenyl)methyl]-4-hydroxypiperidine-1-carbonyl]-2,3-dihydroindol-1-yl]ethanone
PubChem CID139007877
Molecular FormulaC23H25FN2O3
Molecular Weight396.46 g/mol
Exact Mass396.18
IUPAC Name1-[(2S)-2-[4-[(4-fluorophenyl)methyl]-4-hydroxypiperidine-1-carbonyl]-2,3-dihydroindol-1-yl]ethanone
SMILESCC(=O)N1c2ccccc2C[C@H]1C(=O)N1CCC(O)(Cc2ccc(F)cc2)CC1
InChIInChI=1S/C23H25FN2O3/c1-16(27)26-20-5-3-2-4-18(20)14-21(26)22(28)25-12-10-23(29,11-13-25)15-17-6-8-19(24)9-7-17/h2-9,21,29H,10-15H2,1H3/t21-/m0/s1
InChIKeyBAXRSAZVUTWFSP-NRFANRHFSA-N
XLogP2.70
TPSA60.85 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500396.46
LogP ≤ 52.70
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 1-[(2S)-2-[4-[(4-fluorophenyl)methyl]-4-hydroxypiperidine-1-carbonyl]-2,3-dihydroindol-1-yl]ethanone?
The IUPAC name of 1-[(2S)-2-[4-[(4-fluorophenyl)methyl]-4-hydroxypiperidine-1-carbonyl]-2,3-dihydroindol-1-yl]ethanone (CID 139007877) is 1-[(2S)-2-[4-[(4-fluorophenyl)methyl]-4-hydroxypiperidine-1-carbonyl]-2,3-dihydroindol-1-yl]ethanone.
What is the SMILES notation for 1-[(2S)-2-[4-[(4-fluorophenyl)methyl]-4-hydroxypiperidine-1-carbonyl]-2,3-dihydroindol-1-yl]ethanone?
The canonical SMILES for 1-[(2S)-2-[4-[(4-fluorophenyl)methyl]-4-hydroxypiperidine-1-carbonyl]-2,3-dihydroindol-1-yl]ethanone is CC(=O)N1c2ccccc2C[C@H]1C(=O)N1CCC(O)(Cc2ccc(F)cc2)CC1.
What is the InChIKey of 1-[(2S)-2-[4-[(4-fluorophenyl)methyl]-4-hydroxypiperidine-1-carbonyl]-2,3-dihydroindol-1-yl]ethanone?
The InChIKey is BAXRSAZVUTWFSP-NRFANRHFSA-N. The full InChI is InChI=1S/C23H25FN2O3/c1-16(27)26-20-5-3-2-4-18(20)14-21(26)22(28)25-12-10-23(29,11-13-25)15-17-6-8-19(24)9-7-17/h2-9,21,29H,10-15H2,1H3/t21-/m0/s1.
What are the key properties of 1-[(2S)-2-[4-[(4-fluorophenyl)methyl]-4-hydroxypiperidine-1-carbonyl]-2,3-dihydroindol-1-yl]ethanone?
1-[(2S)-2-[4-[(4-fluorophenyl)methyl]-4-hydroxypiperidine-1-carbonyl]-2,3-dihydroindol-1-yl]ethanone has a molecular weight of 396.46 g/mol, XLogP of 2.70, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[(2S)-2-[4-[(4-fluorophenyl)methyl]-4-hydroxypiperidine-1-carbonyl]-2,3-dihydroindol-1-yl]ethanone is sourced from PubChem (CID 139007877), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).