2-(4-fluorophenyl)-N-[[4-[3-(4-propan-2-ylpiperazine-1-carbonyl)phenyl]phenyl]methyl]pentanamide

C32H38FN3O2 — CID 156786679

IUPAC2-(4-fluorophenyl)-N-[[4-[3-(4-propan-2-ylpiperazine-1-carbonyl)phenyl]phenyl]methyl]pentanamide
SMILESCCCC(C(=O)NCc1ccc(-c2cccc(C(=O)N3CCN(C(C)C)CC3)c2)cc1)c1ccc(F)cc1
InChIInChI=1S/C32H38FN3O2/c1-4-6-30(26-13-15-29(33)16-14-26)31(37)34-22-24-9-11-25(12-10-24)27-7-5-8-28(21-27)32(38)36-19-17-35(18-20-36)23(2)3/h5,7-16,21,23,30H,4,6,17-20,22H2,1-3H3,(H,34,37)
InChIKeyXZOKNDIXTDVUIC-UHFFFAOYSA-N
MW515.67 g/mol
LogP5.86
Rot. Bonds9

About 2-(4-fluorophenyl)-N-[[4-[3-(4-propan-2-ylpiperazine-1-carbonyl)phenyl]phenyl]methyl]pentanamide

2-(4-fluorophenyl)-N-[[4-[3-(4-propan-2-ylpiperazine-1-carbonyl)phenyl]phenyl]methyl]pentanamide (PubChem CID 156786679) has the molecular formula C32H38FN3O2 and a molecular weight of 515.67 g/mol. Its IUPAC name is 2-(4-fluorophenyl)-N-[[4-[3-(4-propan-2-ylpiperazine-1-carbonyl)phenyl]phenyl]methyl]pentanamide.

Molecular Properties

Compound Name2-(4-fluorophenyl)-N-[[4-[3-(4-propan-2-ylpiperazine-1-carbonyl)phenyl]phenyl]methyl]pentanamide
PubChem CID156786679
Molecular FormulaC32H38FN3O2
Molecular Weight515.67 g/mol
Exact Mass515.29
IUPAC Name2-(4-fluorophenyl)-N-[[4-[3-(4-propan-2-ylpiperazine-1-carbonyl)phenyl]phenyl]methyl]pentanamide
SMILESCCCC(C(=O)NCc1ccc(-c2cccc(C(=O)N3CCN(C(C)C)CC3)c2)cc1)c1ccc(F)cc1
InChIInChI=1S/C32H38FN3O2/c1-4-6-30(26-13-15-29(33)16-14-26)31(37)34-22-24-9-11-25(12-10-24)27-7-5-8-28(21-27)32(38)36-19-17-35(18-20-36)23(2)3/h5,7-16,21,23,30H,4,6,17-20,22H2,1-3H3,(H,34,37)
InChIKeyXZOKNDIXTDVUIC-UHFFFAOYSA-N
XLogP5.86
TPSA52.65 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds9
Heavy Atoms38
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500515.67
LogP ≤ 55.86
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

(2S)-N-[(4-fluorophenyl)methyl]-2-[4-[(2R)-1-[(4-fluorophenyl)methylamino]-1-oxopropan-2-yl]piperazin-1-yl]propanamide
CID 30958923
N-(4-fluorophenyl)-N-[[4-[4-(4-propan-2-ylpiperazine-1-carbonyl)phenyl]phenyl]methyl]pentanamide
CID 134537223
[3-(aminomethyl)phenyl]-(4-propan-2-ylpiperazin-1-yl)methanone
CID 43584943
(3-fluorophenyl)-[4-(3-phenylbenzoyl)piperazin-1-yl]methanone
CID 110365297
3-[4-[bis(4-fluorophenyl)methyl]piperazine-1-carbonyl]-N-ethylbenzenesulfonamide
CID 29218312
2-(4-fluorophenyl)-N-[[4-[4-[(3-phenylphenyl)methyl]piperazine-1-carbonyl]phenyl]methyl]acetamide
CID 72723461
1-[4-(3-phenylbenzoyl)piperazin-1-yl]ethanone
CID 110755413
[4-(4-fluorophenyl)piperazin-1-yl]-[3-(4-hydroxyphenyl)phenyl]methanone
CID 2106289
(2R)-N-[(4-fluorophenyl)methyl]-2-methylbutanamide
CID 94606450
[3-[4-(1-hydroxyethyl)phenyl]phenyl]-[4-(hydroxymethyl)piperidin-1-yl]methanone
CID 119068135
[3-[4-[(1S)-1-hydroxyethyl]phenyl]phenyl]-[4-(hydroxymethyl)piperidin-1-yl]methanone
CID 126441230
2-[4-(3-fluorobenzoyl)piperazin-1-yl]pentanenitrile
CID 63337908

Frequently Asked Questions

What is the IUPAC name of 2-(4-fluorophenyl)-N-[[4-[3-(4-propan-2-ylpiperazine-1-carbonyl)phenyl]phenyl]methyl]pentanamide?
The IUPAC name of 2-(4-fluorophenyl)-N-[[4-[3-(4-propan-2-ylpiperazine-1-carbonyl)phenyl]phenyl]methyl]pentanamide (CID 156786679) is 2-(4-fluorophenyl)-N-[[4-[3-(4-propan-2-ylpiperazine-1-carbonyl)phenyl]phenyl]methyl]pentanamide.
What is the SMILES notation for 2-(4-fluorophenyl)-N-[[4-[3-(4-propan-2-ylpiperazine-1-carbonyl)phenyl]phenyl]methyl]pentanamide?
The canonical SMILES for 2-(4-fluorophenyl)-N-[[4-[3-(4-propan-2-ylpiperazine-1-carbonyl)phenyl]phenyl]methyl]pentanamide is CCCC(C(=O)NCc1ccc(-c2cccc(C(=O)N3CCN(C(C)C)CC3)c2)cc1)c1ccc(F)cc1.
What is the InChIKey of 2-(4-fluorophenyl)-N-[[4-[3-(4-propan-2-ylpiperazine-1-carbonyl)phenyl]phenyl]methyl]pentanamide?
The InChIKey is XZOKNDIXTDVUIC-UHFFFAOYSA-N. The full InChI is InChI=1S/C32H38FN3O2/c1-4-6-30(26-13-15-29(33)16-14-26)31(37)34-22-24-9-11-25(12-10-24)27-7-5-8-28(21-27)32(38)36-19-17-35(18-20-36)23(2)3/h5,7-16,21,23,30H,4,6,17-20,22H2,1-3H3,(H,34,37).
What are the key properties of 2-(4-fluorophenyl)-N-[[4-[3-(4-propan-2-ylpiperazine-1-carbonyl)phenyl]phenyl]methyl]pentanamide?
2-(4-fluorophenyl)-N-[[4-[3-(4-propan-2-ylpiperazine-1-carbonyl)phenyl]phenyl]methyl]pentanamide has a molecular weight of 515.67 g/mol, XLogP of 5.86, 9 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(4-fluorophenyl)-N-[[4-[3-(4-propan-2-ylpiperazine-1-carbonyl)phenyl]phenyl]methyl]pentanamide is sourced from PubChem (CID 156786679), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).