(2R,4S)-2-(4-benzhydrylidenepiperidin-1-yl)-N-[(4-fluorophenyl)methyl]-4-hydroxypentanamide

C30H33FN2O2 — CID 71769658

IUPAC(2R,4S)-2-(4-benzhydrylidenepiperidin-1-yl)-N-[(4-fluorophenyl)methyl]-4-hydroxypentanamide
SMILESC[C@H](O)C[C@H](C(=O)NCc1ccc(F)cc1)N1CCC(=C(c2ccccc2)c2ccccc2)CC1
InChIInChI=1S/C30H33FN2O2/c1-22(34)20-28(30(35)32-21-23-12-14-27(31)15-13-23)33-18-16-26(17-19-33)29(24-8-4-2-5-9-24)25-10-6-3-7-11-25/h2-15,22,28,34H,16-21H2,1H3,(H,32,35)/t22-,28+/m0/s1
InChIKeyYILCVYZMGWZDMI-RBISFHTESA-N
MW472.60 g/mol
LogP5.18
Rot. Bonds8

About (2R,4S)-2-(4-benzhydrylidenepiperidin-1-yl)-N-[(4-fluorophenyl)methyl]-4-hydroxypentanamide

(2R,4S)-2-(4-benzhydrylidenepiperidin-1-yl)-N-[(4-fluorophenyl)methyl]-4-hydroxypentanamide (PubChem CID 71769658) has the molecular formula C30H33FN2O2 and a molecular weight of 472.60 g/mol. Its IUPAC name is (2R,4S)-2-(4-benzhydrylidenepiperidin-1-yl)-N-[(4-fluorophenyl)methyl]-4-hydroxypentanamide.

Molecular Properties

Compound Name(2R,4S)-2-(4-benzhydrylidenepiperidin-1-yl)-N-[(4-fluorophenyl)methyl]-4-hydroxypentanamide
PubChem CID71769658
Molecular FormulaC30H33FN2O2
Molecular Weight472.60 g/mol
Exact Mass472.25
IUPAC Name(2R,4S)-2-(4-benzhydrylidenepiperidin-1-yl)-N-[(4-fluorophenyl)methyl]-4-hydroxypentanamide
SMILESC[C@H](O)C[C@H](C(=O)NCc1ccc(F)cc1)N1CCC(=C(c2ccccc2)c2ccccc2)CC1
InChIInChI=1S/C30H33FN2O2/c1-22(34)20-28(30(35)32-21-23-12-14-27(31)15-13-23)33-18-16-26(17-19-33)29(24-8-4-2-5-9-24)25-10-6-3-7-11-25/h2-15,22,28,34H,16-21H2,1H3,(H,32,35)/t22-,28+/m0/s1
InChIKeyYILCVYZMGWZDMI-RBISFHTESA-N
XLogP5.18
TPSA52.57 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds8
Heavy Atoms35
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500472.60
LogP ≤ 55.18
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of (2R,4S)-2-(4-benzhydrylidenepiperidin-1-yl)-N-[(4-fluorophenyl)methyl]-4-hydroxypentanamide?
The IUPAC name of (2R,4S)-2-(4-benzhydrylidenepiperidin-1-yl)-N-[(4-fluorophenyl)methyl]-4-hydroxypentanamide (CID 71769658) is (2R,4S)-2-(4-benzhydrylidenepiperidin-1-yl)-N-[(4-fluorophenyl)methyl]-4-hydroxypentanamide.
What is the SMILES notation for (2R,4S)-2-(4-benzhydrylidenepiperidin-1-yl)-N-[(4-fluorophenyl)methyl]-4-hydroxypentanamide?
The canonical SMILES for (2R,4S)-2-(4-benzhydrylidenepiperidin-1-yl)-N-[(4-fluorophenyl)methyl]-4-hydroxypentanamide is C[C@H](O)C[C@H](C(=O)NCc1ccc(F)cc1)N1CCC(=C(c2ccccc2)c2ccccc2)CC1.
What is the InChIKey of (2R,4S)-2-(4-benzhydrylidenepiperidin-1-yl)-N-[(4-fluorophenyl)methyl]-4-hydroxypentanamide?
The InChIKey is YILCVYZMGWZDMI-RBISFHTESA-N. The full InChI is InChI=1S/C30H33FN2O2/c1-22(34)20-28(30(35)32-21-23-12-14-27(31)15-13-23)33-18-16-26(17-19-33)29(24-8-4-2-5-9-24)25-10-6-3-7-11-25/h2-15,22,28,34H,16-21H2,1H3,(H,32,35)/t22-,28+/m0/s1.
What are the key properties of (2R,4S)-2-(4-benzhydrylidenepiperidin-1-yl)-N-[(4-fluorophenyl)methyl]-4-hydroxypentanamide?
(2R,4S)-2-(4-benzhydrylidenepiperidin-1-yl)-N-[(4-fluorophenyl)methyl]-4-hydroxypentanamide has a molecular weight of 472.60 g/mol, XLogP of 5.18, 8 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (2R,4S)-2-(4-benzhydrylidenepiperidin-1-yl)-N-[(4-fluorophenyl)methyl]-4-hydroxypentanamide is sourced from PubChem (CID 71769658), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).