N-(4-acetylphenyl)-3-piperidin-1-ylpropanamide;hydrochloride

C16H23ClN2O2 — CID 155569851

IUPACN-(4-acetylphenyl)-3-piperidin-1-ylpropanamide;hydrochloride
SMILESCC(=O)c1ccc(NC(=O)CCN2CCCCC2)cc1.Cl
InChIInChI=1S/C16H22N2O2.ClH/c1-13(19)14-5-7-15(8-6-14)17-16(20)9-12-18-10-3-2-4-11-18;/h5-8H,2-4,9-12H2,1H3,(H,17,20);1H
InChIKeyIFTRVODNGRAUIH-UHFFFAOYSA-N
MW310.83 g/mol
LogP3.13
Rot. Bonds5

About N-(4-acetylphenyl)-3-piperidin-1-ylpropanamide;hydrochloride

N-(4-acetylphenyl)-3-piperidin-1-ylpropanamide;hydrochloride (PubChem CID 155569851) has the molecular formula C16H23ClN2O2 and a molecular weight of 310.83 g/mol. Its IUPAC name is N-(4-acetylphenyl)-3-piperidin-1-ylpropanamide;hydrochloride.

Molecular Properties

Compound NameN-(4-acetylphenyl)-3-piperidin-1-ylpropanamide;hydrochloride
PubChem CID155569851
Molecular FormulaC16H23ClN2O2
Molecular Weight310.83 g/mol
Exact Mass310.14
IUPAC NameN-(4-acetylphenyl)-3-piperidin-1-ylpropanamide;hydrochloride
SMILESCC(=O)c1ccc(NC(=O)CCN2CCCCC2)cc1.Cl
InChIInChI=1S/C16H22N2O2.ClH/c1-13(19)14-5-7-15(8-6-14)17-16(20)9-12-18-10-3-2-4-11-18;/h5-8H,2-4,9-12H2,1H3,(H,17,20);1H
InChIKeyIFTRVODNGRAUIH-UHFFFAOYSA-N
XLogP3.13
TPSA49.41 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500310.83
LogP ≤ 53.13
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

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1-[3-(4-acetylanilino)-3-oxopropyl]-N-methyl-N-propan-2-ylpiperidine-4-carboxamide
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Frequently Asked Questions

What is the IUPAC name of N-(4-acetylphenyl)-3-piperidin-1-ylpropanamide;hydrochloride?
The IUPAC name of N-(4-acetylphenyl)-3-piperidin-1-ylpropanamide;hydrochloride (CID 155569851) is N-(4-acetylphenyl)-3-piperidin-1-ylpropanamide;hydrochloride.
What is the SMILES notation for N-(4-acetylphenyl)-3-piperidin-1-ylpropanamide;hydrochloride?
The canonical SMILES for N-(4-acetylphenyl)-3-piperidin-1-ylpropanamide;hydrochloride is CC(=O)c1ccc(NC(=O)CCN2CCCCC2)cc1.Cl.
What is the InChIKey of N-(4-acetylphenyl)-3-piperidin-1-ylpropanamide;hydrochloride?
The InChIKey is IFTRVODNGRAUIH-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H22N2O2.ClH/c1-13(19)14-5-7-15(8-6-14)17-16(20)9-12-18-10-3-2-4-11-18;/h5-8H,2-4,9-12H2,1H3,(H,17,20);1H.
What are the key properties of N-(4-acetylphenyl)-3-piperidin-1-ylpropanamide;hydrochloride?
N-(4-acetylphenyl)-3-piperidin-1-ylpropanamide;hydrochloride has a molecular weight of 310.83 g/mol, XLogP of 3.13, 5 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-(4-acetylphenyl)-3-piperidin-1-ylpropanamide;hydrochloride is sourced from PubChem (CID 155569851), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).