N-[1-[2-(3-aminophenyl)ethyl]piperidin-4-yl]-N-phenylpropanamide

C22H29N3O — CID 25110126

IUPACN-[1-[2-(3-aminophenyl)ethyl]piperidin-4-yl]-N-phenylpropanamide
SMILESCCC(=O)N(c1ccccc1)C1CCN(CCc2cccc(N)c2)CC1
InChIInChI=1S/C22H29N3O/c1-2-22(26)25(20-9-4-3-5-10-20)21-12-15-24(16-13-21)14-11-18-7-6-8-19(23)17-18/h3-10,17,21H,2,11-16,23H2,1H3
InChIKeyDAGPXUDYRSUDIG-UHFFFAOYSA-N
MW351.49 g/mol
LogP3.72
Rot. Bonds6

About N-[1-[2-(3-aminophenyl)ethyl]piperidin-4-yl]-N-phenylpropanamide

N-[1-[2-(3-aminophenyl)ethyl]piperidin-4-yl]-N-phenylpropanamide (PubChem CID 25110126) has the molecular formula C22H29N3O and a molecular weight of 351.49 g/mol. Its IUPAC name is N-[1-[2-(3-aminophenyl)ethyl]piperidin-4-yl]-N-phenylpropanamide.

Molecular Properties

Compound NameN-[1-[2-(3-aminophenyl)ethyl]piperidin-4-yl]-N-phenylpropanamide
PubChem CID25110126
Molecular FormulaC22H29N3O
Molecular Weight351.49 g/mol
Exact Mass351.23
IUPAC NameN-[1-[2-(3-aminophenyl)ethyl]piperidin-4-yl]-N-phenylpropanamide
SMILESCCC(=O)N(c1ccccc1)C1CCN(CCc2cccc(N)c2)CC1
InChIInChI=1S/C22H29N3O/c1-2-22(26)25(20-9-4-3-5-10-20)21-12-15-24(16-13-21)14-11-18-7-6-8-19(23)17-18/h3-10,17,21H,2,11-16,23H2,1H3
InChIKeyDAGPXUDYRSUDIG-UHFFFAOYSA-N
XLogP3.72
TPSA49.57 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500351.49
LogP ≤ 53.72
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'aniline', 'substructure': 'N/A'}

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Related Compounds

N-phenyl-N-[1-(2-phenylethyl)piperidin-4-yl]propanamide
CID 3345
ethane;N-phenyl-N-[1-(2-phenylethyl)piperidin-4-yl]propanamide
CID 160668171
N-phenyl-N-[1-(2-phenylethyl)piperidin-4-yl]propanamide azide
CID 126650510
N-phenyl-N-[1-(2-phenylethyl)piperidin-4-yl]propanamide sulfate
CID 53341505
but-2-enedioic acid;N-phenyl-N-[1-(2-phenylethyl)piperidin-4-yl]propanamide
CID 68613507
2-oxo-2-phenylmethoxyacetic acid;N-phenyl-N-[1-(2-phenylethyl)piperidin-4-yl]propanamide
CID 155024434
1,1-diethoxyethane;N-phenyl-N-[1-(2-phenylethyl)piperidin-4-yl]propanamide
CID 166758697
aniline;4-benzyl-1-(2-phenylethyl)piperidine;ethane;methane;1-(2-phenylethyl)piperidin-4-one;N-phenyl-N-[1-(2-phenylethyl)piperidin-4-yl]propanamide;propanoyl chloride
CID 159860654
N-(1-butylpiperidin-4-yl)-N-phenylpropanamide
CID 91753688
methyl 4-methylbenzenesulfonate;N-[1-[2-(3-methylphenyl)ethyl]piperidin-4-yl]-N-phenylpropanamide
CID 158112352
N-[1-[2-(2,6-dimethoxyphenyl)ethyl]piperidin-4-yl]-N-phenylpropanamide
CID 165361588
(E)-but-2-enedioic acid;N-phenyl-N-[1-(2-phenylethyl)pyrrolidin-3-yl]propanamide
CID 6445104

Frequently Asked Questions

What is the IUPAC name of N-[1-[2-(3-aminophenyl)ethyl]piperidin-4-yl]-N-phenylpropanamide?
The IUPAC name of N-[1-[2-(3-aminophenyl)ethyl]piperidin-4-yl]-N-phenylpropanamide (CID 25110126) is N-[1-[2-(3-aminophenyl)ethyl]piperidin-4-yl]-N-phenylpropanamide.
What is the SMILES notation for N-[1-[2-(3-aminophenyl)ethyl]piperidin-4-yl]-N-phenylpropanamide?
The canonical SMILES for N-[1-[2-(3-aminophenyl)ethyl]piperidin-4-yl]-N-phenylpropanamide is CCC(=O)N(c1ccccc1)C1CCN(CCc2cccc(N)c2)CC1.
What is the InChIKey of N-[1-[2-(3-aminophenyl)ethyl]piperidin-4-yl]-N-phenylpropanamide?
The InChIKey is DAGPXUDYRSUDIG-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H29N3O/c1-2-22(26)25(20-9-4-3-5-10-20)21-12-15-24(16-13-21)14-11-18-7-6-8-19(23)17-18/h3-10,17,21H,2,11-16,23H2,1H3.
What are the key properties of N-[1-[2-(3-aminophenyl)ethyl]piperidin-4-yl]-N-phenylpropanamide?
N-[1-[2-(3-aminophenyl)ethyl]piperidin-4-yl]-N-phenylpropanamide has a molecular weight of 351.49 g/mol, XLogP of 3.72, 6 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[1-[2-(3-aminophenyl)ethyl]piperidin-4-yl]-N-phenylpropanamide is sourced from PubChem (CID 25110126), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).