2-[4-[1-(4-ethoxyphenyl)piperidin-4-yl]phenyl]-N-phenylpropanamide

C28H32N2O2 — CID 71566718

IUPAC2-[4-[1-(4-ethoxyphenyl)piperidin-4-yl]phenyl]-N-phenylpropanamide
SMILESCCOc1ccc(N2CCC(c3ccc(C(C)C(=O)Nc4ccccc4)cc3)CC2)cc1
InChIInChI=1S/C28H32N2O2/c1-3-32-27-15-13-26(14-16-27)30-19-17-24(18-20-30)23-11-9-22(10-12-23)21(2)28(31)29-25-7-5-4-6-8-25/h4-16,21,24H,3,17-20H2,1-2H3,(H,29,31)
InChIKeyBOBKCXRPEPYEJM-UHFFFAOYSA-N
MW428.58 g/mol
LogP6.21
Rot. Bonds7

About 2-[4-[1-(4-ethoxyphenyl)piperidin-4-yl]phenyl]-N-phenylpropanamide

2-[4-[1-(4-ethoxyphenyl)piperidin-4-yl]phenyl]-N-phenylpropanamide (PubChem CID 71566718) has the molecular formula C28H32N2O2 and a molecular weight of 428.58 g/mol. Its IUPAC name is 2-[4-[1-(4-ethoxyphenyl)piperidin-4-yl]phenyl]-N-phenylpropanamide.

Molecular Properties

Compound Name2-[4-[1-(4-ethoxyphenyl)piperidin-4-yl]phenyl]-N-phenylpropanamide
PubChem CID71566718
Molecular FormulaC28H32N2O2
Molecular Weight428.58 g/mol
Exact Mass428.25
IUPAC Name2-[4-[1-(4-ethoxyphenyl)piperidin-4-yl]phenyl]-N-phenylpropanamide
SMILESCCOc1ccc(N2CCC(c3ccc(C(C)C(=O)Nc4ccccc4)cc3)CC2)cc1
InChIInChI=1S/C28H32N2O2/c1-3-32-27-15-13-26(14-16-27)30-19-17-24(18-20-30)23-11-9-22(10-12-23)21(2)28(31)29-25-7-5-4-6-8-25/h4-16,21,24H,3,17-20H2,1-2H3,(H,29,31)
InChIKeyBOBKCXRPEPYEJM-UHFFFAOYSA-N
XLogP6.21
TPSA41.57 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds7
Heavy Atoms32
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500428.58
LogP ≤ 56.21
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'anil_di_alk_C(246)', 'substructure': 'N/A'}

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Related Compounds

2-[4-[1-(4-ethoxyphenyl)piperidin-4-yl]phenyl]hexan-3-one
CID 153105171
2-[4-[1-(4-cyclobutyloxyphenyl)piperidin-4-yl]phenyl]-N-ethylpropanamide
CID 71576220
2-(dimethylamino)-N-[(1S)-1-[4-[1-(4-ethoxyphenyl)piperidin-4-yl]phenyl]ethyl]acetamide
CID 67970711
2-[4-[1-(4-ethoxyphenyl)pyrrolidin-3-yl]oxyphenyl]-N-ethylpropanamide
CID 123697575
4-(4-ethoxyphenyl)-N-(4-propan-2-ylphenyl)piperazine-1-carboxamide
CID 113112384
2-(4-ethoxyphenoxy)-N-(4-morpholin-4-ylphenyl)propanamide
CID 53267110
N-(4-ethoxyphenyl)-3-(4-phenylpiperidin-1-yl)azetidine-1-carboxamide
CID 23139858
(2R)-N-phenyl-2-(4-phenylpiperidin-1-yl)propanamide
CID 125483089
1-[1-(4-ethoxyanilino)-1-oxopropan-2-yl]piperidine-4-carboxylic acid;hydrochloride
CID 119906958
2-[4-(cyclobutylmethoxy)phenyl]-N-[4-[3-(2-oxopropylamino)pyrrolidin-1-yl]phenyl]propanamide
CID 21105576
3-[(1S)-1-[4-[4-(4-cyclobutyloxyphenyl)piperidin-1-yl]phenyl]ethyl]-1,1-dimethylurea
CID 71616118
N-[1-[4-[1-(4-ethoxyphenyl)pyrrolidin-3-yl]oxyphenyl]ethyl]acetamide
CID 123377438

Frequently Asked Questions

What is the IUPAC name of 2-[4-[1-(4-ethoxyphenyl)piperidin-4-yl]phenyl]-N-phenylpropanamide?
The IUPAC name of 2-[4-[1-(4-ethoxyphenyl)piperidin-4-yl]phenyl]-N-phenylpropanamide (CID 71566718) is 2-[4-[1-(4-ethoxyphenyl)piperidin-4-yl]phenyl]-N-phenylpropanamide.
What is the SMILES notation for 2-[4-[1-(4-ethoxyphenyl)piperidin-4-yl]phenyl]-N-phenylpropanamide?
The canonical SMILES for 2-[4-[1-(4-ethoxyphenyl)piperidin-4-yl]phenyl]-N-phenylpropanamide is CCOc1ccc(N2CCC(c3ccc(C(C)C(=O)Nc4ccccc4)cc3)CC2)cc1.
What is the InChIKey of 2-[4-[1-(4-ethoxyphenyl)piperidin-4-yl]phenyl]-N-phenylpropanamide?
The InChIKey is BOBKCXRPEPYEJM-UHFFFAOYSA-N. The full InChI is InChI=1S/C28H32N2O2/c1-3-32-27-15-13-26(14-16-27)30-19-17-24(18-20-30)23-11-9-22(10-12-23)21(2)28(31)29-25-7-5-4-6-8-25/h4-16,21,24H,3,17-20H2,1-2H3,(H,29,31).
What are the key properties of 2-[4-[1-(4-ethoxyphenyl)piperidin-4-yl]phenyl]-N-phenylpropanamide?
2-[4-[1-(4-ethoxyphenyl)piperidin-4-yl]phenyl]-N-phenylpropanamide has a molecular weight of 428.58 g/mol, XLogP of 6.21, 7 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[4-[1-(4-ethoxyphenyl)piperidin-4-yl]phenyl]-N-phenylpropanamide is sourced from PubChem (CID 71566718), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).