3-[6-[1-[(2S)-2-(4-fluorophenoxy)propanoyl]piperidin-4-yl]-3-pyridinyl]benzamide

C26H26FN3O3 — CID 92615481

IUPAC3-[6-[1-[(2S)-2-(4-fluorophenoxy)propanoyl]piperidin-4-yl]-3-pyridinyl]benzamide
SMILESC[C@H](Oc1ccc(F)cc1)C(=O)N1CCC(c2ccc(-c3cccc(C(N)=O)c3)cn2)CC1
InChIInChI=1S/C26H26FN3O3/c1-17(33-23-8-6-22(27)7-9-23)26(32)30-13-11-18(12-14-30)24-10-5-21(16-29-24)19-3-2-4-20(15-19)25(28)31/h2-10,15-18H,11-14H2,1H3,(H2,28,31)/t17-/m0/s1
InChIKeyRVZRBUQXPNYJEB-KRWDZBQOSA-N
MW447.51 g/mol
LogP4.16
Rot. Bonds6

About 3-[6-[1-[(2S)-2-(4-fluorophenoxy)propanoyl]piperidin-4-yl]-3-pyridinyl]benzamide

3-[6-[1-[(2S)-2-(4-fluorophenoxy)propanoyl]piperidin-4-yl]-3-pyridinyl]benzamide (PubChem CID 92615481) has the molecular formula C26H26FN3O3 and a molecular weight of 447.51 g/mol. Its IUPAC name is 3-[6-[1-[(2S)-2-(4-fluorophenoxy)propanoyl]piperidin-4-yl]-3-pyridinyl]benzamide.

Molecular Properties

Compound Name3-[6-[1-[(2S)-2-(4-fluorophenoxy)propanoyl]piperidin-4-yl]-3-pyridinyl]benzamide
PubChem CID92615481
Molecular FormulaC26H26FN3O3
Molecular Weight447.51 g/mol
Exact Mass447.20
IUPAC Name3-[6-[1-[(2S)-2-(4-fluorophenoxy)propanoyl]piperidin-4-yl]-3-pyridinyl]benzamide
SMILESC[C@H](Oc1ccc(F)cc1)C(=O)N1CCC(c2ccc(-c3cccc(C(N)=O)c3)cn2)CC1
InChIInChI=1S/C26H26FN3O3/c1-17(33-23-8-6-22(27)7-9-23)26(32)30-13-11-18(12-14-30)24-10-5-21(16-29-24)19-3-2-4-20(15-19)25(28)31/h2-10,15-18H,11-14H2,1H3,(H2,28,31)/t17-/m0/s1
InChIKeyRVZRBUQXPNYJEB-KRWDZBQOSA-N
XLogP4.16
TPSA85.52 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms33
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500447.51
LogP ≤ 54.16
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Analyze 3-[6-[1-[(2S)-2-(4-fluorophenoxy)propanoyl]piperidin-4-yl]-3-pyridinyl]benzamide 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 3-[6-[1-[(2S)-2-(4-fluorophenoxy)propanoyl]piperidin-4-yl]-3-pyridinyl]benzamide?
The IUPAC name of 3-[6-[1-[(2S)-2-(4-fluorophenoxy)propanoyl]piperidin-4-yl]-3-pyridinyl]benzamide (CID 92615481) is 3-[6-[1-[(2S)-2-(4-fluorophenoxy)propanoyl]piperidin-4-yl]-3-pyridinyl]benzamide.
What is the SMILES notation for 3-[6-[1-[(2S)-2-(4-fluorophenoxy)propanoyl]piperidin-4-yl]-3-pyridinyl]benzamide?
The canonical SMILES for 3-[6-[1-[(2S)-2-(4-fluorophenoxy)propanoyl]piperidin-4-yl]-3-pyridinyl]benzamide is C[C@H](Oc1ccc(F)cc1)C(=O)N1CCC(c2ccc(-c3cccc(C(N)=O)c3)cn2)CC1.
What is the InChIKey of 3-[6-[1-[(2S)-2-(4-fluorophenoxy)propanoyl]piperidin-4-yl]-3-pyridinyl]benzamide?
The InChIKey is RVZRBUQXPNYJEB-KRWDZBQOSA-N. The full InChI is InChI=1S/C26H26FN3O3/c1-17(33-23-8-6-22(27)7-9-23)26(32)30-13-11-18(12-14-30)24-10-5-21(16-29-24)19-3-2-4-20(15-19)25(28)31/h2-10,15-18H,11-14H2,1H3,(H2,28,31)/t17-/m0/s1.
What are the key properties of 3-[6-[1-[(2S)-2-(4-fluorophenoxy)propanoyl]piperidin-4-yl]-3-pyridinyl]benzamide?
3-[6-[1-[(2S)-2-(4-fluorophenoxy)propanoyl]piperidin-4-yl]-3-pyridinyl]benzamide has a molecular weight of 447.51 g/mol, XLogP of 4.16, 6 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[6-[1-[(2S)-2-(4-fluorophenoxy)propanoyl]piperidin-4-yl]-3-pyridinyl]benzamide is sourced from PubChem (CID 92615481), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).