4-acetyl-N-(3-acetylphenyl)-3-[[4-[(4-fluorophenyl)methyl]piperidin-1-yl]methyl]piperazine-1-carboxamide

C28H35FN4O3 — CID 23509665

IUPAC4-acetyl-N-(3-acetylphenyl)-3-[[4-[(4-fluorophenyl)methyl]piperidin-1-yl]methyl]piperazine-1-carboxamide
SMILESCC(=O)c1cccc(NC(=O)N2CCN(C(C)=O)C(CN3CCC(Cc4ccc(F)cc4)CC3)C2)c1
InChIInChI=1S/C28H35FN4O3/c1-20(34)24-4-3-5-26(17-24)30-28(36)32-14-15-33(21(2)35)27(19-32)18-31-12-10-23(11-13-31)16-22-6-8-25(29)9-7-22/h3-9,17,23,27H,10-16,18-19H2,1-2H3,(H,30,36)
InChIKeyYAPRKVSOBHMUQD-UHFFFAOYSA-N
MW494.61 g/mol
LogP4.05
Rot. Bonds6

About 4-acetyl-N-(3-acetylphenyl)-3-[[4-[(4-fluorophenyl)methyl]piperidin-1-yl]methyl]piperazine-1-carboxamide

4-acetyl-N-(3-acetylphenyl)-3-[[4-[(4-fluorophenyl)methyl]piperidin-1-yl]methyl]piperazine-1-carboxamide (PubChem CID 23509665) has the molecular formula C28H35FN4O3 and a molecular weight of 494.61 g/mol. Its IUPAC name is 4-acetyl-N-(3-acetylphenyl)-3-[[4-[(4-fluorophenyl)methyl]piperidin-1-yl]methyl]piperazine-1-carboxamide.

Molecular Properties

Compound Name4-acetyl-N-(3-acetylphenyl)-3-[[4-[(4-fluorophenyl)methyl]piperidin-1-yl]methyl]piperazine-1-carboxamide
PubChem CID23509665
Molecular FormulaC28H35FN4O3
Molecular Weight494.61 g/mol
Exact Mass494.27
IUPAC Name4-acetyl-N-(3-acetylphenyl)-3-[[4-[(4-fluorophenyl)methyl]piperidin-1-yl]methyl]piperazine-1-carboxamide
SMILESCC(=O)c1cccc(NC(=O)N2CCN(C(C)=O)C(CN3CCC(Cc4ccc(F)cc4)CC3)C2)c1
InChIInChI=1S/C28H35FN4O3/c1-20(34)24-4-3-5-26(17-24)30-28(36)32-14-15-33(21(2)35)27(19-32)18-31-12-10-23(11-13-31)16-22-6-8-25(29)9-7-22/h3-9,17,23,27H,10-16,18-19H2,1-2H3,(H,30,36)
InChIKeyYAPRKVSOBHMUQD-UHFFFAOYSA-N
XLogP4.05
TPSA72.96 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms36
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500494.61
LogP ≤ 54.05
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Analyze 4-acetyl-N-(3-acetylphenyl)-3-[[4-[(4-fluorophenyl)methyl]piperidin-1-yl]methyl]piperazine-1-carboxamide with MolForge

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Related Compounds

2-[[4-[(4-fluorophenyl)methyl]piperidin-1-yl]methyl]-4-[(3-methoxyphenyl)carbamoyl]piperazine-1-carboxylic acid
CID 70198251
(2R)-N-(3-acetylphenyl)-2-[[4-[(4-fluorophenyl)methyl]piperidin-1-yl]methyl]morpholine-4-carboxamide
CID 54011116
1-(3-acetylphenyl)-3-[(1R,2S)-2-[[4-[(4-fluorophenyl)methyl]piperidin-1-yl]methyl]cyclohexyl]urea
CID 11465468
1-(3-acetylphenyl)-3-[3-[4-[(4-fluorophenyl)methyl]piperidin-1-yl]propyl]urea
CID 22393282
4-benzyl-N-(3-cyanophenyl)-3-[[4-[(4-fluorophenyl)methyl]piperidin-1-yl]methyl]piperazine-1-carboxamide
CID 23509675
1-(3-acetylphenyl)-3-[3-[4-[(4-fluorophenyl)methyl]piperidin-1-yl]-2-hydroxypropyl]urea
CID 22504630
2-[[4-[(4-fluorophenyl)methyl]piperidin-1-yl]methyl]-N-phenylpyrrolidine-1-carboxamide
CID 91479957
(3S)-N-[3-(ethylcarbamoyl)phenyl]-3-[(4-fluorophenyl)methyl]piperidine-1-carboxamide
CID 97444795
1-(3-acetylphenyl)-3-[3-[3-[(4-fluorophenyl)methyl]piperidin-1-yl]propyl]urea
CID 22393401
4-benzyl-N-(3-fluorophenyl)piperidine-1-carboxamide
CID 3570835
N-(3-acetylphenyl)-3-(2-hydroxyethyl)pyrrolidine-1-carboxamide
CID 115647557
N-(3-acetylphenyl)-3-(methoxymethyl)pyrrolidine-1-carboxamide
CID 64599067

Frequently Asked Questions

What is the IUPAC name of 4-acetyl-N-(3-acetylphenyl)-3-[[4-[(4-fluorophenyl)methyl]piperidin-1-yl]methyl]piperazine-1-carboxamide?
The IUPAC name of 4-acetyl-N-(3-acetylphenyl)-3-[[4-[(4-fluorophenyl)methyl]piperidin-1-yl]methyl]piperazine-1-carboxamide (CID 23509665) is 4-acetyl-N-(3-acetylphenyl)-3-[[4-[(4-fluorophenyl)methyl]piperidin-1-yl]methyl]piperazine-1-carboxamide.
What is the SMILES notation for 4-acetyl-N-(3-acetylphenyl)-3-[[4-[(4-fluorophenyl)methyl]piperidin-1-yl]methyl]piperazine-1-carboxamide?
The canonical SMILES for 4-acetyl-N-(3-acetylphenyl)-3-[[4-[(4-fluorophenyl)methyl]piperidin-1-yl]methyl]piperazine-1-carboxamide is CC(=O)c1cccc(NC(=O)N2CCN(C(C)=O)C(CN3CCC(Cc4ccc(F)cc4)CC3)C2)c1.
What is the InChIKey of 4-acetyl-N-(3-acetylphenyl)-3-[[4-[(4-fluorophenyl)methyl]piperidin-1-yl]methyl]piperazine-1-carboxamide?
The InChIKey is YAPRKVSOBHMUQD-UHFFFAOYSA-N. The full InChI is InChI=1S/C28H35FN4O3/c1-20(34)24-4-3-5-26(17-24)30-28(36)32-14-15-33(21(2)35)27(19-32)18-31-12-10-23(11-13-31)16-22-6-8-25(29)9-7-22/h3-9,17,23,27H,10-16,18-19H2,1-2H3,(H,30,36).
What are the key properties of 4-acetyl-N-(3-acetylphenyl)-3-[[4-[(4-fluorophenyl)methyl]piperidin-1-yl]methyl]piperazine-1-carboxamide?
4-acetyl-N-(3-acetylphenyl)-3-[[4-[(4-fluorophenyl)methyl]piperidin-1-yl]methyl]piperazine-1-carboxamide has a molecular weight of 494.61 g/mol, XLogP of 4.05, 6 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-acetyl-N-(3-acetylphenyl)-3-[[4-[(4-fluorophenyl)methyl]piperidin-1-yl]methyl]piperazine-1-carboxamide is sourced from PubChem (CID 23509665), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).