N-[1-(4-chlorophenyl)ethyl]-2-[4-(4-hydroxybenzoyl)piperidin-1-yl]propanamide

C23H27ClN2O3 — CID 86919422

IUPACN-[1-(4-chlorophenyl)ethyl]-2-[4-(4-hydroxybenzoyl)piperidin-1-yl]propanamide
SMILESCC(NC(=O)C(C)N1CCC(C(=O)c2ccc(O)cc2)CC1)c1ccc(Cl)cc1
InChIInChI=1S/C23H27ClN2O3/c1-15(17-3-7-20(24)8-4-17)25-23(29)16(2)26-13-11-19(12-14-26)22(28)18-5-9-21(27)10-6-18/h3-10,15-16,19,27H,11-14H2,1-2H3,(H,25,29)
InChIKeyZVYJUZXXSSJQCB-UHFFFAOYSA-N
MW414.93 g/mol
LogP4.21
Rot. Bonds6

About N-[1-(4-chlorophenyl)ethyl]-2-[4-(4-hydroxybenzoyl)piperidin-1-yl]propanamide

N-[1-(4-chlorophenyl)ethyl]-2-[4-(4-hydroxybenzoyl)piperidin-1-yl]propanamide (PubChem CID 86919422) has the molecular formula C23H27ClN2O3 and a molecular weight of 414.93 g/mol. Its IUPAC name is N-[1-(4-chlorophenyl)ethyl]-2-[4-(4-hydroxybenzoyl)piperidin-1-yl]propanamide.

Molecular Properties

Compound NameN-[1-(4-chlorophenyl)ethyl]-2-[4-(4-hydroxybenzoyl)piperidin-1-yl]propanamide
PubChem CID86919422
Molecular FormulaC23H27ClN2O3
Molecular Weight414.93 g/mol
Exact Mass414.17
IUPAC NameN-[1-(4-chlorophenyl)ethyl]-2-[4-(4-hydroxybenzoyl)piperidin-1-yl]propanamide
SMILESCC(NC(=O)C(C)N1CCC(C(=O)c2ccc(O)cc2)CC1)c1ccc(Cl)cc1
InChIInChI=1S/C23H27ClN2O3/c1-15(17-3-7-20(24)8-4-17)25-23(29)16(2)26-13-11-19(12-14-26)22(28)18-5-9-21(27)10-6-18/h3-10,15-16,19,27H,11-14H2,1-2H3,(H,25,29)
InChIKeyZVYJUZXXSSJQCB-UHFFFAOYSA-N
XLogP4.21
TPSA69.64 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500414.93
LogP ≤ 54.21
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Analyze N-[1-(4-chlorophenyl)ethyl]-2-[4-(4-hydroxybenzoyl)piperidin-1-yl]propanamide with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

N-[1-(4-chlorophenyl)ethyl]-2-[(3S)-3-hydroxypyrrolidin-1-yl]propanamide
CID 111333889
N-[1-(4-chlorophenyl)ethyl]-2-(3-methoxypiperidin-1-yl)propanamide
CID 166189153
N-[1-(4-chlorophenyl)ethyl]-2-[4-(pyridine-4-carbonyl)-1,4-diazepan-1-yl]propanamide
CID 78897620
2-[4-(4-hydroxybenzoyl)piperidin-1-yl]-N-[4-(trifluoromethoxy)phenyl]propanamide
CID 86919392
2-(4-benzoylpiperidin-1-yl)-N-tert-butylpropanamide
CID 18144798
2-[4-(4-chlorobenzoyl)piperidin-1-yl]-N-(2,3-dihydro-1,4-benzodioxin-6-ylcarbamoyl)propanamide
CID 55989119
(4-chlorophenyl)-[1-(2-methylpropyl)piperidin-4-yl]methanone
CID 57128692
2-[4-(4-chlorobenzoyl)piperidin-1-yl]-N-[2-(2H-tetrazol-5-yl)phenyl]propanamide
CID 167964410
1-[1-(4-chlorophenyl)-1-oxopropan-2-yl]-N-methylpiperidine-4-carboxamide
CID 62037525
1-[(2R)-1-[[(1R)-1-(4-fluorophenyl)ethyl]amino]-1-oxopropan-2-yl]-N-phenylpiperidine-4-carboxamide
CID 26674864
N-cyclopropyl-2-[4-[1-oxo-1-(1-phenylethylamino)propan-2-yl]piperazin-1-yl]propanamide
CID 46697935
2-[4-(hydroxymethyl)piperidin-1-yl]-N-(1-phenylethyl)propanamide
CID 75810047

Frequently Asked Questions

What is the IUPAC name of N-[1-(4-chlorophenyl)ethyl]-2-[4-(4-hydroxybenzoyl)piperidin-1-yl]propanamide?
The IUPAC name of N-[1-(4-chlorophenyl)ethyl]-2-[4-(4-hydroxybenzoyl)piperidin-1-yl]propanamide (CID 86919422) is N-[1-(4-chlorophenyl)ethyl]-2-[4-(4-hydroxybenzoyl)piperidin-1-yl]propanamide.
What is the SMILES notation for N-[1-(4-chlorophenyl)ethyl]-2-[4-(4-hydroxybenzoyl)piperidin-1-yl]propanamide?
The canonical SMILES for N-[1-(4-chlorophenyl)ethyl]-2-[4-(4-hydroxybenzoyl)piperidin-1-yl]propanamide is CC(NC(=O)C(C)N1CCC(C(=O)c2ccc(O)cc2)CC1)c1ccc(Cl)cc1.
What is the InChIKey of N-[1-(4-chlorophenyl)ethyl]-2-[4-(4-hydroxybenzoyl)piperidin-1-yl]propanamide?
The InChIKey is ZVYJUZXXSSJQCB-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H27ClN2O3/c1-15(17-3-7-20(24)8-4-17)25-23(29)16(2)26-13-11-19(12-14-26)22(28)18-5-9-21(27)10-6-18/h3-10,15-16,19,27H,11-14H2,1-2H3,(H,25,29).
What are the key properties of N-[1-(4-chlorophenyl)ethyl]-2-[4-(4-hydroxybenzoyl)piperidin-1-yl]propanamide?
N-[1-(4-chlorophenyl)ethyl]-2-[4-(4-hydroxybenzoyl)piperidin-1-yl]propanamide has a molecular weight of 414.93 g/mol, XLogP of 4.21, 6 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[1-(4-chlorophenyl)ethyl]-2-[4-(4-hydroxybenzoyl)piperidin-1-yl]propanamide is sourced from PubChem (CID 86919422), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).