N-ethyl-2-(4-fluoro-3-methylphenyl)-5-[4-(2-fluorophenyl)piperazine-1-carbonyl]piperidine-1-carboxamide

C26H32F2N4O2 — CID 46071984

IUPACN-ethyl-2-(4-fluoro-3-methylphenyl)-5-[4-(2-fluorophenyl)piperazine-1-carbonyl]piperidine-1-carboxamide
SMILESCCNC(=O)N1CC(C(=O)N2CCN(c3ccccc3F)CC2)CCC1c1ccc(F)c(C)c1
InChIInChI=1S/C26H32F2N4O2/c1-3-29-26(34)32-17-20(9-11-23(32)19-8-10-21(27)18(2)16-19)25(33)31-14-12-30(13-15-31)24-7-5-4-6-22(24)28/h4-8,10,16,20,23H,3,9,11-15,17H2,1-2H3,(H,29,34)
InChIKeyAEHZABNMVMOVGK-UHFFFAOYSA-N
MW470.56 g/mol
LogP4.10
Rot. Bonds4

About N-ethyl-2-(4-fluoro-3-methylphenyl)-5-[4-(2-fluorophenyl)piperazine-1-carbonyl]piperidine-1-carboxamide

N-ethyl-2-(4-fluoro-3-methylphenyl)-5-[4-(2-fluorophenyl)piperazine-1-carbonyl]piperidine-1-carboxamide (PubChem CID 46071984) has the molecular formula C26H32F2N4O2 and a molecular weight of 470.56 g/mol. Its IUPAC name is N-ethyl-2-(4-fluoro-3-methylphenyl)-5-[4-(2-fluorophenyl)piperazine-1-carbonyl]piperidine-1-carboxamide.

Molecular Properties

Compound NameN-ethyl-2-(4-fluoro-3-methylphenyl)-5-[4-(2-fluorophenyl)piperazine-1-carbonyl]piperidine-1-carboxamide
PubChem CID46071984
Molecular FormulaC26H32F2N4O2
Molecular Weight470.56 g/mol
Exact Mass470.25
IUPAC NameN-ethyl-2-(4-fluoro-3-methylphenyl)-5-[4-(2-fluorophenyl)piperazine-1-carbonyl]piperidine-1-carboxamide
SMILESCCNC(=O)N1CC(C(=O)N2CCN(c3ccccc3F)CC2)CCC1c1ccc(F)c(C)c1
InChIInChI=1S/C26H32F2N4O2/c1-3-29-26(34)32-17-20(9-11-23(32)19-8-10-21(27)18(2)16-19)25(33)31-14-12-30(13-15-31)24-7-5-4-6-22(24)28/h4-8,10,16,20,23H,3,9,11-15,17H2,1-2H3,(H,29,34)
InChIKeyAEHZABNMVMOVGK-UHFFFAOYSA-N
XLogP4.10
TPSA55.89 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms34
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500470.56
LogP ≤ 54.10
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

1-(4-((3-Fluorophenyl)amino)-1-piperidinyl)-2-(4-(((3S)-3-methyl-1-piperazinyl)methyl)phenyl)ethanone
CID 15984937
N-{3-fluoro-5-[({1-[(1R)-1-(naphthalen-1-yl)ethyl]piperidin-4-yl}formamido)methyl]phenyl}-4-methylpiperazine-1-carboxamide
CID 155925847
1-[[4-fluoro-3-[(3R)-3-methyl-4-(2-methylpropanoyl)piperazine-1-carbonyl]phenyl]methyl]quinazoline-2,4-dione
CID 130292391
US11008301, Example 77
CID 156193353
3-N-[(1R,3S,4S)-3-amino-1-[(4-fluorophenyl)carbamoyl]-1,6-dimethylheptan-4-yl]-1-N,1-N-dipropylbenzene-1,3-dicarboxamide
CID 11512035
N-(4-fluorophenyl)-1-(3-phenylpropanoyl)-3-piperidinamine
CID 24791061
1-[(4-([(3R,5S)-3,5-Dimethyl-1-piperazinyl]methyl)phenyl)acetyl]-N-(4-fluorophenyl)-4-piperidinamine
CID 15604512
N-(3-Fluorophenyl)-1-[(4-([(3R)-3-methyl-1-piperazinyl]methyl)phenyl)acetyl]-4-piperidinamine
CID 15984134
3-[4-[[(3R,5S)-3,5-dimethylpiperazin-1-yl]methyl]phenyl]-1-[4-(4-fluoroanilino)piperidin-1-yl]propan-1-one
CID 15984238
1-[4-(4-fluoroanilino)piperidin-1-yl]-3-[4-[[(3S)-3-methylpiperazin-1-yl]methyl]phenyl]propan-1-one
CID 15984240
N-(3-Fluorophenyl)-1-[3-(4-([(3S)-3-methyl-1-piperazinyl]methyl)phenyl)propanoyl]-4-piperidinamine
CID 15984241
1-[2-(4-([(3R,5S)-3,5-Dimethyl-1-piperazinyl]methyl)phenyl)propanoyl]-N-(4-fluorophenyl)-4-piperidinamine
CID 15984242

Frequently Asked Questions

What is the IUPAC name of N-ethyl-2-(4-fluoro-3-methylphenyl)-5-[4-(2-fluorophenyl)piperazine-1-carbonyl]piperidine-1-carboxamide?
The IUPAC name of N-ethyl-2-(4-fluoro-3-methylphenyl)-5-[4-(2-fluorophenyl)piperazine-1-carbonyl]piperidine-1-carboxamide (CID 46071984) is N-ethyl-2-(4-fluoro-3-methylphenyl)-5-[4-(2-fluorophenyl)piperazine-1-carbonyl]piperidine-1-carboxamide.
What is the SMILES notation for N-ethyl-2-(4-fluoro-3-methylphenyl)-5-[4-(2-fluorophenyl)piperazine-1-carbonyl]piperidine-1-carboxamide?
The canonical SMILES for N-ethyl-2-(4-fluoro-3-methylphenyl)-5-[4-(2-fluorophenyl)piperazine-1-carbonyl]piperidine-1-carboxamide is CCNC(=O)N1CC(C(=O)N2CCN(c3ccccc3F)CC2)CCC1c1ccc(F)c(C)c1.
What is the InChIKey of N-ethyl-2-(4-fluoro-3-methylphenyl)-5-[4-(2-fluorophenyl)piperazine-1-carbonyl]piperidine-1-carboxamide?
The InChIKey is AEHZABNMVMOVGK-UHFFFAOYSA-N. The full InChI is InChI=1S/C26H32F2N4O2/c1-3-29-26(34)32-17-20(9-11-23(32)19-8-10-21(27)18(2)16-19)25(33)31-14-12-30(13-15-31)24-7-5-4-6-22(24)28/h4-8,10,16,20,23H,3,9,11-15,17H2,1-2H3,(H,29,34).
What are the key properties of N-ethyl-2-(4-fluoro-3-methylphenyl)-5-[4-(2-fluorophenyl)piperazine-1-carbonyl]piperidine-1-carboxamide?
N-ethyl-2-(4-fluoro-3-methylphenyl)-5-[4-(2-fluorophenyl)piperazine-1-carbonyl]piperidine-1-carboxamide has a molecular weight of 470.56 g/mol, XLogP of 4.10, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-ethyl-2-(4-fluoro-3-methylphenyl)-5-[4-(2-fluorophenyl)piperazine-1-carbonyl]piperidine-1-carboxamide is sourced from PubChem (CID 46071984), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).