N-(4-acetamidophenyl)-3-(4-benzylpiperidin-1-yl)propanamide

C23H29N3O2 — CID 109032583

IUPACN-(4-acetamidophenyl)-3-(4-benzylpiperidin-1-yl)propanamide
SMILESCC(=O)Nc1ccc(NC(=O)CCN2CCC(Cc3ccccc3)CC2)cc1
InChIInChI=1S/C23H29N3O2/c1-18(27)24-21-7-9-22(10-8-21)25-23(28)13-16-26-14-11-20(12-15-26)17-19-5-3-2-4-6-19/h2-10,20H,11-17H2,1H3,(H,24,27)(H,25,28)
InChIKeyPBWQIRHAQPAGQH-UHFFFAOYSA-N
MW379.50 g/mol
LogP3.93
Rot. Bonds7

About N-(4-acetamidophenyl)-3-(4-benzylpiperidin-1-yl)propanamide

N-(4-acetamidophenyl)-3-(4-benzylpiperidin-1-yl)propanamide (PubChem CID 109032583) has the molecular formula C23H29N3O2 and a molecular weight of 379.50 g/mol. Its IUPAC name is N-(4-acetamidophenyl)-3-(4-benzylpiperidin-1-yl)propanamide.

Molecular Properties

Compound NameN-(4-acetamidophenyl)-3-(4-benzylpiperidin-1-yl)propanamide
PubChem CID109032583
Molecular FormulaC23H29N3O2
Molecular Weight379.50 g/mol
Exact Mass379.23
IUPAC NameN-(4-acetamidophenyl)-3-(4-benzylpiperidin-1-yl)propanamide
SMILESCC(=O)Nc1ccc(NC(=O)CCN2CCC(Cc3ccccc3)CC2)cc1
InChIInChI=1S/C23H29N3O2/c1-18(27)24-21-7-9-22(10-8-21)25-23(28)13-16-26-14-11-20(12-15-26)17-19-5-3-2-4-6-19/h2-10,20H,11-17H2,1H3,(H,24,27)(H,25,28)
InChIKeyPBWQIRHAQPAGQH-UHFFFAOYSA-N
XLogP3.93
TPSA61.44 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds7
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500379.50
LogP ≤ 53.93
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

3-(4-benzylpiperidin-1-yl)-N-[4-(trifluoromethyl)phenyl]propanamide
CID 109032580
3-(4-benzylpiperidin-1-yl)propanehydrazide
CID 63572694
3-(4-benzylpiperidin-1-yl)-N-(9-ethylcarbazol-3-yl)propanamide
CID 22458815
2-(4-benzylpiperidin-1-yl)-N-(4-ethylphenyl)acetamide
CID 17380707
N-[4-(4-benzylpiperidin-1-yl)phenyl]butanamide
CID 112985401
3-(4-benzylpiperidin-1-yl)-N-(2,4-dimethylphenyl)propanamide
CID 109032554
methyl 3-(4-benzylpiperidin-1-yl)propanoate
CID 43091070
2-(4-benzylpiperidin-1-yl)-N-(4-ethoxyphenyl)acetamide
CID 22198150
N-(4-acetylphenyl)-3-(4-benzoylpiperidin-1-yl)propanamide
CID 33215029
3-(4-methylpiperazin-1-yl)-N-phenylpropanamide
CID 719539
ethyl 4-[[2-(4-benzylpiperidin-1-yl)acetyl]amino]benzoate
CID 22198151
3-[3-(2-hydroxyethyl)pyrrolidin-1-yl]-N-phenylpropanamide
CID 115647931

Frequently Asked Questions

What is the IUPAC name of N-(4-acetamidophenyl)-3-(4-benzylpiperidin-1-yl)propanamide?
The IUPAC name of N-(4-acetamidophenyl)-3-(4-benzylpiperidin-1-yl)propanamide (CID 109032583) is N-(4-acetamidophenyl)-3-(4-benzylpiperidin-1-yl)propanamide.
What is the SMILES notation for N-(4-acetamidophenyl)-3-(4-benzylpiperidin-1-yl)propanamide?
The canonical SMILES for N-(4-acetamidophenyl)-3-(4-benzylpiperidin-1-yl)propanamide is CC(=O)Nc1ccc(NC(=O)CCN2CCC(Cc3ccccc3)CC2)cc1.
What is the InChIKey of N-(4-acetamidophenyl)-3-(4-benzylpiperidin-1-yl)propanamide?
The InChIKey is PBWQIRHAQPAGQH-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H29N3O2/c1-18(27)24-21-7-9-22(10-8-21)25-23(28)13-16-26-14-11-20(12-15-26)17-19-5-3-2-4-6-19/h2-10,20H,11-17H2,1H3,(H,24,27)(H,25,28).
What are the key properties of N-(4-acetamidophenyl)-3-(4-benzylpiperidin-1-yl)propanamide?
N-(4-acetamidophenyl)-3-(4-benzylpiperidin-1-yl)propanamide has a molecular weight of 379.50 g/mol, XLogP of 3.93, 7 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-(4-acetamidophenyl)-3-(4-benzylpiperidin-1-yl)propanamide is sourced from PubChem (CID 109032583), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).