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

C26H26FN3O3 — CID 92615480

IUPAC3-[6-[1-[(2R)-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-/m1/s1
InChIKeyRVZRBUQXPNYJEB-QGZVFWFLSA-N
MW447.51 g/mol
LogP4.16
Rot. Bonds6

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

3-[6-[1-[(2R)-2-(4-fluorophenoxy)propanoyl]piperidin-4-yl]-3-pyridinyl]benzamide (PubChem CID 92615480) has the molecular formula C26H26FN3O3 and a molecular weight of 447.51 g/mol. Its IUPAC name is 3-[6-[1-[(2R)-2-(4-fluorophenoxy)propanoyl]piperidin-4-yl]-3-pyridinyl]benzamide.

Molecular Properties

Compound Name3-[6-[1-[(2R)-2-(4-fluorophenoxy)propanoyl]piperidin-4-yl]-3-pyridinyl]benzamide
PubChem CID92615480
Molecular FormulaC26H26FN3O3
Molecular Weight447.51 g/mol
Exact Mass447.20
IUPAC Name3-[6-[1-[(2R)-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-/m1/s1
InChIKeyRVZRBUQXPNYJEB-QGZVFWFLSA-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

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Related Compounds

3-[6-[1-[(2S)-2-(4-fluorophenoxy)propanoyl]piperidin-4-yl]-3-pyridinyl]benzamide
CID 92615481
3-[6-[1-[2-[[(2S)-1-methoxypropan-2-yl]amino]-2-oxoethyl]piperidin-4-yl]-3-pyridinyl]benzamide
CID 92615475
3-[6-[1-(7-methylimidazo[1,2-a]pyridine-2-carbonyl)piperidin-4-yl]-3-pyridinyl]benzamide
CID 92615503
3-[6-[(2R)-1-methylpyrrolidin-2-yl]-3-pyridinyl]benzamide
CID 95813262
1-(4-hydroxypiperidin-1-yl)-2-(4-phenylphenoxy)propan-1-one
CID 110888002
1-[(2R)-2-(4-fluorophenoxy)propanoyl]-N-phenylpiperidine-4-carboxamide
CID 41499825
5-[1-(2-phenoxypropanoyl)piperidin-4-yl]-1H-pyrazole-3-carboxamide
CID 91628861
1-(4-aminopiperidin-1-yl)-2-(4-phenylphenoxy)propan-1-one
CID 119376748
2-(3-fluorophenoxy)-1-[4-(1H-pyrrolo[2,3-b]pyridin-3-yl)piperidin-1-yl]propan-1-one
CID 86829901
(2S)-2-(4-fluorophenoxy)-1-[4-(1H-pyrrolo[3,2-c]pyridin-2-yl)piperidin-1-yl]propan-1-one
CID 92551054
3-fluoro-N-[1-[2-(4-hydroxyphenoxy)propanoyl]piperidin-4-yl]benzamide
CID 108557466
3-[6-[1-(pyridine-2-carbonyl)piperidin-3-yl]-3-pyridinyl]benzamide
CID 110263833

Frequently Asked Questions

What is the IUPAC name of 3-[6-[1-[(2R)-2-(4-fluorophenoxy)propanoyl]piperidin-4-yl]-3-pyridinyl]benzamide?
The IUPAC name of 3-[6-[1-[(2R)-2-(4-fluorophenoxy)propanoyl]piperidin-4-yl]-3-pyridinyl]benzamide (CID 92615480) is 3-[6-[1-[(2R)-2-(4-fluorophenoxy)propanoyl]piperidin-4-yl]-3-pyridinyl]benzamide.
What is the SMILES notation for 3-[6-[1-[(2R)-2-(4-fluorophenoxy)propanoyl]piperidin-4-yl]-3-pyridinyl]benzamide?
The canonical SMILES for 3-[6-[1-[(2R)-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-[(2R)-2-(4-fluorophenoxy)propanoyl]piperidin-4-yl]-3-pyridinyl]benzamide?
The InChIKey is RVZRBUQXPNYJEB-QGZVFWFLSA-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-/m1/s1.
What are the key properties of 3-[6-[1-[(2R)-2-(4-fluorophenoxy)propanoyl]piperidin-4-yl]-3-pyridinyl]benzamide?
3-[6-[1-[(2R)-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-[(2R)-2-(4-fluorophenoxy)propanoyl]piperidin-4-yl]-3-pyridinyl]benzamide is sourced from PubChem (CID 92615480), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).