2-fluoro-N-[(2R)-2-[4-(4-methoxyphenyl)piperazin-1-yl]-2-pyridin-3-ylethyl]benzamide

C25H27FN4O2 — CID 27443394

IUPAC2-fluoro-N-[(2R)-2-[4-(4-methoxyphenyl)piperazin-1-yl]-2-pyridin-3-ylethyl]benzamide
SMILESCOc1ccc(N2CCN([C@@H](CNC(=O)c3ccccc3F)c3cccnc3)CC2)cc1
InChIInChI=1S/C25H27FN4O2/c1-32-21-10-8-20(9-11-21)29-13-15-30(16-14-29)24(19-5-4-12-27-17-19)18-28-25(31)22-6-2-3-7-23(22)26/h2-12,17,24H,13-16,18H2,1H3,(H,28,31)/t24-/m0/s1
InChIKeyTYYYQBRWUDJMIJ-DEOSSOPVSA-N
MW434.52 g/mol
LogP3.52
Rot. Bonds7

About 2-fluoro-N-[(2R)-2-[4-(4-methoxyphenyl)piperazin-1-yl]-2-pyridin-3-ylethyl]benzamide

2-fluoro-N-[(2R)-2-[4-(4-methoxyphenyl)piperazin-1-yl]-2-pyridin-3-ylethyl]benzamide (PubChem CID 27443394) has the molecular formula C25H27FN4O2 and a molecular weight of 434.52 g/mol. Its IUPAC name is 2-fluoro-N-[(2R)-2-[4-(4-methoxyphenyl)piperazin-1-yl]-2-pyridin-3-ylethyl]benzamide.

Molecular Properties

Compound Name2-fluoro-N-[(2R)-2-[4-(4-methoxyphenyl)piperazin-1-yl]-2-pyridin-3-ylethyl]benzamide
PubChem CID27443394
Molecular FormulaC25H27FN4O2
Molecular Weight434.52 g/mol
Exact Mass434.21
IUPAC Name2-fluoro-N-[(2R)-2-[4-(4-methoxyphenyl)piperazin-1-yl]-2-pyridin-3-ylethyl]benzamide
SMILESCOc1ccc(N2CCN([C@@H](CNC(=O)c3ccccc3F)c3cccnc3)CC2)cc1
InChIInChI=1S/C25H27FN4O2/c1-32-21-10-8-20(9-11-21)29-13-15-30(16-14-29)24(19-5-4-12-27-17-19)18-28-25(31)22-6-2-3-7-23(22)26/h2-12,17,24H,13-16,18H2,1H3,(H,28,31)/t24-/m0/s1
InChIKeyTYYYQBRWUDJMIJ-DEOSSOPVSA-N
XLogP3.52
TPSA57.70 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds7
Heavy Atoms32
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500434.52
LogP ≤ 53.52
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'anil_di_alk_C(246)', 'substructure': 'N/A'}

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Related Compounds

N-[(4-methoxyphenyl)methyl]-N'-[(2R)-2-(4-phenylpiperazin-1-yl)-2-pyridin-3-ylethyl]oxamide
CID 40773843
N'-(4-methoxyphenyl)-N-[2-(4-phenylpiperazin-1-yl)-2-pyridin-3-ylethyl]oxamide
CID 22517357
N-[(4-methoxyphenyl)methyl]-N'-[(2S)-2-(4-phenylpiperazin-1-yl)-2-pyridin-3-ylethyl]oxamide
CID 40773845
3-chloro-N-[2-[4-(4-methoxyphenyl)piperazin-1-yl]-2-pyridin-3-ylethyl]benzamide
CID 3240145
N-[2-[4-(4-methoxyphenyl)piperazin-1-yl]-2-pyridin-3-ylethyl]cyclohexanecarboxamide
CID 3240844
N-[2-[4-(2-fluorophenyl)piperazin-1-yl]-2-pyridin-3-ylethyl]-3-methoxybenzamide
CID 4067165
N'-[(2S)-2-[4-(4-fluorophenyl)piperazin-1-yl]-2-pyridin-3-ylethyl]-N-[(2-methoxyphenyl)methyl]oxamide
CID 40773943
N-[(2S)-2-(4-ethylpiperazin-1-yl)-2-pyridin-3-ylethyl]-4-methoxybenzamide
CID 92680834
2-methyl-N-[2-(4-phenylpiperazin-1-yl)-2-pyridin-3-ylethyl]propanamide
CID 3503405
N'-(2-methoxyphenyl)-N-[2-(4-phenylpiperazin-1-yl)-2-pyridin-3-ylethyl]oxamide
CID 22517370
N-[(4-fluorophenyl)methyl]-N'-[(2R)-2-[4-(4-fluorophenyl)piperazin-1-yl]-2-pyridin-3-ylethyl]oxamide
CID 27554903
2-fluoro-N-[2-[[2-(4-methoxyphenyl)-2-morpholin-4-ylethyl]amino]-2-oxoethyl]benzamide
CID 18161663

Frequently Asked Questions

What is the IUPAC name of 2-fluoro-N-[(2R)-2-[4-(4-methoxyphenyl)piperazin-1-yl]-2-pyridin-3-ylethyl]benzamide?
The IUPAC name of 2-fluoro-N-[(2R)-2-[4-(4-methoxyphenyl)piperazin-1-yl]-2-pyridin-3-ylethyl]benzamide (CID 27443394) is 2-fluoro-N-[(2R)-2-[4-(4-methoxyphenyl)piperazin-1-yl]-2-pyridin-3-ylethyl]benzamide.
What is the SMILES notation for 2-fluoro-N-[(2R)-2-[4-(4-methoxyphenyl)piperazin-1-yl]-2-pyridin-3-ylethyl]benzamide?
The canonical SMILES for 2-fluoro-N-[(2R)-2-[4-(4-methoxyphenyl)piperazin-1-yl]-2-pyridin-3-ylethyl]benzamide is COc1ccc(N2CCN([C@@H](CNC(=O)c3ccccc3F)c3cccnc3)CC2)cc1.
What is the InChIKey of 2-fluoro-N-[(2R)-2-[4-(4-methoxyphenyl)piperazin-1-yl]-2-pyridin-3-ylethyl]benzamide?
The InChIKey is TYYYQBRWUDJMIJ-DEOSSOPVSA-N. The full InChI is InChI=1S/C25H27FN4O2/c1-32-21-10-8-20(9-11-21)29-13-15-30(16-14-29)24(19-5-4-12-27-17-19)18-28-25(31)22-6-2-3-7-23(22)26/h2-12,17,24H,13-16,18H2,1H3,(H,28,31)/t24-/m0/s1.
What are the key properties of 2-fluoro-N-[(2R)-2-[4-(4-methoxyphenyl)piperazin-1-yl]-2-pyridin-3-ylethyl]benzamide?
2-fluoro-N-[(2R)-2-[4-(4-methoxyphenyl)piperazin-1-yl]-2-pyridin-3-ylethyl]benzamide has a molecular weight of 434.52 g/mol, XLogP of 3.52, 7 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-fluoro-N-[(2R)-2-[4-(4-methoxyphenyl)piperazin-1-yl]-2-pyridin-3-ylethyl]benzamide is sourced from PubChem (CID 27443394), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).