3-ethyl-6-[4-[[2-(3-fluorophenyl)benzoyl]amino]piperidin-1-yl]-3-phenylhexanoic acid

C32H37FN2O3 — CID 22995528

IUPAC3-ethyl-6-[4-[[2-(3-fluorophenyl)benzoyl]amino]piperidin-1-yl]-3-phenylhexanoic acid
SMILESCCC(CCCN1CCC(NC(=O)c2ccccc2-c2cccc(F)c2)CC1)(CC(=O)O)c1ccccc1
InChIInChI=1S/C32H37FN2O3/c1-2-32(23-30(36)37,25-11-4-3-5-12-25)18-9-19-35-20-16-27(17-21-35)34-31(38)29-15-7-6-14-28(29)24-10-8-13-26(33)22-24/h3-8,10-15,22,27H,2,9,16-21,23H2,1H3,(H,34,38)(H,36,37)
InChIKeyKIPKGHLSJCHYRW-UHFFFAOYSA-N
MW516.66 g/mol
LogP6.29
Rot. Bonds11

About 3-ethyl-6-[4-[[2-(3-fluorophenyl)benzoyl]amino]piperidin-1-yl]-3-phenylhexanoic acid

3-ethyl-6-[4-[[2-(3-fluorophenyl)benzoyl]amino]piperidin-1-yl]-3-phenylhexanoic acid (PubChem CID 22995528) has the molecular formula C32H37FN2O3 and a molecular weight of 516.66 g/mol. Its IUPAC name is 3-ethyl-6-[4-[[2-(3-fluorophenyl)benzoyl]amino]piperidin-1-yl]-3-phenylhexanoic acid.

Molecular Properties

Compound Name3-ethyl-6-[4-[[2-(3-fluorophenyl)benzoyl]amino]piperidin-1-yl]-3-phenylhexanoic acid
PubChem CID22995528
Molecular FormulaC32H37FN2O3
Molecular Weight516.66 g/mol
Exact Mass516.28
IUPAC Name3-ethyl-6-[4-[[2-(3-fluorophenyl)benzoyl]amino]piperidin-1-yl]-3-phenylhexanoic acid
SMILESCCC(CCCN1CCC(NC(=O)c2ccccc2-c2cccc(F)c2)CC1)(CC(=O)O)c1ccccc1
InChIInChI=1S/C32H37FN2O3/c1-2-32(23-30(36)37,25-11-4-3-5-12-25)18-9-19-35-20-16-27(17-21-35)34-31(38)29-15-7-6-14-28(29)24-10-8-13-26(33)22-24/h3-8,10-15,22,27H,2,9,16-21,23H2,1H3,(H,34,38)(H,36,37)
InChIKeyKIPKGHLSJCHYRW-UHFFFAOYSA-N
XLogP6.29
TPSA69.64 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds11
Heavy Atoms38
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500516.66
LogP ≤ 56.29
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Analyze 3-ethyl-6-[4-[[2-(3-fluorophenyl)benzoyl]amino]piperidin-1-yl]-3-phenylhexanoic acid with MolForge

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Related Compounds

methyl 6-[4-[[2-(3-chlorophenyl)benzoyl]amino]piperidin-1-yl]-3-ethyl-3-phenylhexanoate
CID 22995732
tert-butyl 6-[4-[[2-(3-fluorophenyl)benzoyl]amino]piperidin-1-yl]-3-methyl-3-phenylhexanoate
CID 70030535
propan-2-yl 3-ethyl-6-[4-[[2-(3-methylphenyl)benzoyl]amino]piperidin-1-yl]-3-phenylhexanoate
CID 22995548
butyl 3-ethyl-3-phenyl-6-[4-[[2-[4-(trifluoromethyl)phenyl]benzoyl]amino]piperidin-1-yl]hexanoate
CID 22995586
methyl 3-ethyl-3-(4-fluorophenyl)-6-[4-[[2-[4-(trifluoromethyl)phenyl]benzoyl]amino]piperidin-1-yl]hexanoate
CID 22995602
6-[4-[[2-(3-chlorophenyl)benzoyl]amino]piperidin-1-yl]-3-methyl-3-phenylhexanoic acid
CID 22995511
methyl 3-ethyl-3-phenyl-7-[4-[[2-[4-(trifluoromethyl)phenyl]benzoyl]amino]piperidin-1-yl]heptanoate
CID 22995521
propan-2-yl 3-ethyl-6-[4-[[2-(4-ethylphenyl)benzoyl]amino]piperidin-1-yl]-3-phenylhexanoate
CID 22995714
methyl 3-ethyl-3-phenyl-5-[4-[[2-[4-(trifluoromethyl)phenyl]benzoyl]amino]piperidin-1-yl]pentanoate
CID 22995535
methyl 3-methyl-6-[4-[[2-(3-methylphenyl)benzoyl]amino]piperidin-1-yl]-3-phenylhexanoate
CID 22995688
propyl 3-ethyl-3-phenyl-5-[4-[[2-[4-(trifluoromethyl)phenyl]benzoyl]amino]piperidin-1-yl]pentanoate
CID 22995694
ethyl 6-[4-[[5-chloro-2-(4-chlorophenyl)benzoyl]amino]piperidin-1-yl]-3-ethyl-3-phenylhexanoate
CID 22995651

Frequently Asked Questions

What is the IUPAC name of 3-ethyl-6-[4-[[2-(3-fluorophenyl)benzoyl]amino]piperidin-1-yl]-3-phenylhexanoic acid?
The IUPAC name of 3-ethyl-6-[4-[[2-(3-fluorophenyl)benzoyl]amino]piperidin-1-yl]-3-phenylhexanoic acid (CID 22995528) is 3-ethyl-6-[4-[[2-(3-fluorophenyl)benzoyl]amino]piperidin-1-yl]-3-phenylhexanoic acid.
What is the SMILES notation for 3-ethyl-6-[4-[[2-(3-fluorophenyl)benzoyl]amino]piperidin-1-yl]-3-phenylhexanoic acid?
The canonical SMILES for 3-ethyl-6-[4-[[2-(3-fluorophenyl)benzoyl]amino]piperidin-1-yl]-3-phenylhexanoic acid is CCC(CCCN1CCC(NC(=O)c2ccccc2-c2cccc(F)c2)CC1)(CC(=O)O)c1ccccc1.
What is the InChIKey of 3-ethyl-6-[4-[[2-(3-fluorophenyl)benzoyl]amino]piperidin-1-yl]-3-phenylhexanoic acid?
The InChIKey is KIPKGHLSJCHYRW-UHFFFAOYSA-N. The full InChI is InChI=1S/C32H37FN2O3/c1-2-32(23-30(36)37,25-11-4-3-5-12-25)18-9-19-35-20-16-27(17-21-35)34-31(38)29-15-7-6-14-28(29)24-10-8-13-26(33)22-24/h3-8,10-15,22,27H,2,9,16-21,23H2,1H3,(H,34,38)(H,36,37).
What are the key properties of 3-ethyl-6-[4-[[2-(3-fluorophenyl)benzoyl]amino]piperidin-1-yl]-3-phenylhexanoic acid?
3-ethyl-6-[4-[[2-(3-fluorophenyl)benzoyl]amino]piperidin-1-yl]-3-phenylhexanoic acid has a molecular weight of 516.66 g/mol, XLogP of 6.29, 11 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-ethyl-6-[4-[[2-(3-fluorophenyl)benzoyl]amino]piperidin-1-yl]-3-phenylhexanoic acid is sourced from PubChem (CID 22995528), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).