N-[1-[2-(4-fluoro-N-propanoylanilino)ethyl]piperidin-4-yl]-3-(4-methylphenyl)propanamide

C26H34FN3O2 — CID 156782583

IUPACN-[1-[2-(4-fluoro-N-propanoylanilino)ethyl]piperidin-4-yl]-3-(4-methylphenyl)propanamide
SMILESCCC(=O)N(CCN1CCC(NC(=O)CCc2ccc(C)cc2)CC1)c1ccc(F)cc1
InChIInChI=1S/C26H34FN3O2/c1-3-26(32)30(24-11-9-22(27)10-12-24)19-18-29-16-14-23(15-17-29)28-25(31)13-8-21-6-4-20(2)5-7-21/h4-7,9-12,23H,3,8,13-19H2,1-2H3,(H,28,31)
InChIKeyOUJNLMVVQZYEBE-UHFFFAOYSA-N
MW439.58 g/mol
LogP4.09
Rot. Bonds9

About N-[1-[2-(4-fluoro-N-propanoylanilino)ethyl]piperidin-4-yl]-3-(4-methylphenyl)propanamide

N-[1-[2-(4-fluoro-N-propanoylanilino)ethyl]piperidin-4-yl]-3-(4-methylphenyl)propanamide (PubChem CID 156782583) has the molecular formula C26H34FN3O2 and a molecular weight of 439.58 g/mol. Its IUPAC name is N-[1-[2-(4-fluoro-N-propanoylanilino)ethyl]piperidin-4-yl]-3-(4-methylphenyl)propanamide.

Molecular Properties

Compound NameN-[1-[2-(4-fluoro-N-propanoylanilino)ethyl]piperidin-4-yl]-3-(4-methylphenyl)propanamide
PubChem CID156782583
Molecular FormulaC26H34FN3O2
Molecular Weight439.58 g/mol
Exact Mass439.26
IUPAC NameN-[1-[2-(4-fluoro-N-propanoylanilino)ethyl]piperidin-4-yl]-3-(4-methylphenyl)propanamide
SMILESCCC(=O)N(CCN1CCC(NC(=O)CCc2ccc(C)cc2)CC1)c1ccc(F)cc1
InChIInChI=1S/C26H34FN3O2/c1-3-26(32)30(24-11-9-22(27)10-12-24)19-18-29-16-14-23(15-17-29)28-25(31)13-8-21-6-4-20(2)5-7-21/h4-7,9-12,23H,3,8,13-19H2,1-2H3,(H,28,31)
InChIKeyOUJNLMVVQZYEBE-UHFFFAOYSA-N
XLogP4.09
TPSA52.65 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds9
Heavy Atoms32
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500439.58
LogP ≤ 54.09
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

N-(4-fluorophenyl)-N-[2-[4-(4-methyl-N-propanoylanilino)piperidin-1-yl]ethyl]propanamide
CID 175358904
ethyl 4-[3-(4-methylphenyl)propanoylamino]piperidine-1-carboxylate
CID 24554705
N-(1-ethylsulfonylpiperidin-4-yl)-3-(4-fluorophenyl)propanamide
CID 110823021
N-(1-butanoylpiperidin-4-yl)-3-(4-methylphenyl)propanamide
CID 110819291
ethyl 4-[3-(N-acetyl-4-fluoroanilino)propanoylamino]piperidine-1-carboxylate
CID 113126879
N-[1-(2,2-dimethylpropanoyl)piperidin-4-yl]-3-(4-fluorophenyl)propanamide
CID 110819897
3-(2-ethoxyphenyl)-N-[1-[(4-fluorophenyl)methyl]piperidin-4-yl]propanamide
CID 55960312
3-(4-fluorophenyl)-N-(4-hydroxycyclohexyl)propanamide
CID 43392085
3-[4-(dimethylamino)phenyl]-N-[1-(pyridin-4-ylmethyl)piperidin-4-yl]propanamide
CID 91791895
N-[1-[(4-chlorophenyl)methyl]piperidin-4-yl]-3-(4-ethylphenyl)propanamide
CID 55428414
ethyl 4-[[2-[2-(4-fluorophenyl)ethylamino]acetyl]amino]piperidine-1-carboxylate
CID 109000410
N-(1-butylsulfonylpiperidin-4-yl)-3-(4-methylphenyl)propanamide
CID 108562226

Frequently Asked Questions

What is the IUPAC name of N-[1-[2-(4-fluoro-N-propanoylanilino)ethyl]piperidin-4-yl]-3-(4-methylphenyl)propanamide?
The IUPAC name of N-[1-[2-(4-fluoro-N-propanoylanilino)ethyl]piperidin-4-yl]-3-(4-methylphenyl)propanamide (CID 156782583) is N-[1-[2-(4-fluoro-N-propanoylanilino)ethyl]piperidin-4-yl]-3-(4-methylphenyl)propanamide.
What is the SMILES notation for N-[1-[2-(4-fluoro-N-propanoylanilino)ethyl]piperidin-4-yl]-3-(4-methylphenyl)propanamide?
The canonical SMILES for N-[1-[2-(4-fluoro-N-propanoylanilino)ethyl]piperidin-4-yl]-3-(4-methylphenyl)propanamide is CCC(=O)N(CCN1CCC(NC(=O)CCc2ccc(C)cc2)CC1)c1ccc(F)cc1.
What is the InChIKey of N-[1-[2-(4-fluoro-N-propanoylanilino)ethyl]piperidin-4-yl]-3-(4-methylphenyl)propanamide?
The InChIKey is OUJNLMVVQZYEBE-UHFFFAOYSA-N. The full InChI is InChI=1S/C26H34FN3O2/c1-3-26(32)30(24-11-9-22(27)10-12-24)19-18-29-16-14-23(15-17-29)28-25(31)13-8-21-6-4-20(2)5-7-21/h4-7,9-12,23H,3,8,13-19H2,1-2H3,(H,28,31).
What are the key properties of N-[1-[2-(4-fluoro-N-propanoylanilino)ethyl]piperidin-4-yl]-3-(4-methylphenyl)propanamide?
N-[1-[2-(4-fluoro-N-propanoylanilino)ethyl]piperidin-4-yl]-3-(4-methylphenyl)propanamide has a molecular weight of 439.58 g/mol, XLogP of 4.09, 9 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[1-[2-(4-fluoro-N-propanoylanilino)ethyl]piperidin-4-yl]-3-(4-methylphenyl)propanamide is sourced from PubChem (CID 156782583), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).