(4-acetamidophenyl) 3-piperidin-1-ylpropanoate;hydrochloride

C16H23ClN2O3 — CID 56680027

IUPAC(4-acetamidophenyl) 3-piperidin-1-ylpropanoate;hydrochloride
SMILESCC(=O)Nc1ccc(OC(=O)CCN2CCCCC2)cc1.Cl
InChIInChI=1S/C16H22N2O3.ClH/c1-13(19)17-14-5-7-15(8-6-14)21-16(20)9-12-18-10-3-2-4-11-18;/h5-8H,2-4,9-12H2,1H3,(H,17,19);1H
InChIKeyFJWKOIIKPLIJBA-UHFFFAOYSA-N
MW326.82 g/mol
LogP2.85
Rot. Bonds5

About (4-acetamidophenyl) 3-piperidin-1-ylpropanoate;hydrochloride

(4-acetamidophenyl) 3-piperidin-1-ylpropanoate;hydrochloride (PubChem CID 56680027) has the molecular formula C16H23ClN2O3 and a molecular weight of 326.82 g/mol. Its IUPAC name is (4-acetamidophenyl) 3-piperidin-1-ylpropanoate;hydrochloride.

Molecular Properties

Compound Name(4-acetamidophenyl) 3-piperidin-1-ylpropanoate;hydrochloride
PubChem CID56680027
Molecular FormulaC16H23ClN2O3
Molecular Weight326.82 g/mol
Exact Mass326.14
IUPAC Name(4-acetamidophenyl) 3-piperidin-1-ylpropanoate;hydrochloride
SMILESCC(=O)Nc1ccc(OC(=O)CCN2CCCCC2)cc1.Cl
InChIInChI=1S/C16H22N2O3.ClH/c1-13(19)17-14-5-7-15(8-6-14)21-16(20)9-12-18-10-3-2-4-11-18;/h5-8H,2-4,9-12H2,1H3,(H,17,19);1H
InChIKeyFJWKOIIKPLIJBA-UHFFFAOYSA-N
XLogP2.85
TPSA58.64 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500326.82
LogP ≤ 52.85
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Related Compounds

N-[4-(3-piperidin-1-ylpropanoyl)phenyl]acetamide;hydrochloride
CID 54601120
bis(4-acetamidophenyl) propanedioate
CID 58435595
methyl 3-piperidin-1-ylpropanoate;hydrochloride
CID 22077061
N-(4-acetylphenyl)-3-piperidin-1-ylpropanamide;hydrochloride
CID 155569851
N-[4-(2-pyrrolidin-1-ylethyl)phenyl]acetamide
CID 60575256
(4-acetamidophenyl) 2-cyclohexylacetate
CID 51152581
N-[4-(3-pyrrolidin-1-ylpropylamino)phenyl]acetamide
CID 61494179
2-piperidin-1-ylethyl N-(4-acetylphenyl)carbamate;hydrochloride
CID 45048307
ethyl N-[4-(2-piperidin-1-ylethoxy)phenyl]carbamate;hydrochloride
CID 24836577
(4-acetamidophenyl) 3-(2-oxo-1,3-benzoxazol-3-yl)propanoate
CID 27845460
(4-acetamidophenyl) 3-(4-chlorophenyl)propanoate
CID 51277629
N-[4-(2-hydroxy-3-pyrrolidin-1-ylpropoxy)phenyl]acetamide chloride
CID 46863837

Frequently Asked Questions

What is the IUPAC name of (4-acetamidophenyl) 3-piperidin-1-ylpropanoate;hydrochloride?
The IUPAC name of (4-acetamidophenyl) 3-piperidin-1-ylpropanoate;hydrochloride (CID 56680027) is (4-acetamidophenyl) 3-piperidin-1-ylpropanoate;hydrochloride.
What is the SMILES notation for (4-acetamidophenyl) 3-piperidin-1-ylpropanoate;hydrochloride?
The canonical SMILES for (4-acetamidophenyl) 3-piperidin-1-ylpropanoate;hydrochloride is CC(=O)Nc1ccc(OC(=O)CCN2CCCCC2)cc1.Cl.
What is the InChIKey of (4-acetamidophenyl) 3-piperidin-1-ylpropanoate;hydrochloride?
The InChIKey is FJWKOIIKPLIJBA-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H22N2O3.ClH/c1-13(19)17-14-5-7-15(8-6-14)21-16(20)9-12-18-10-3-2-4-11-18;/h5-8H,2-4,9-12H2,1H3,(H,17,19);1H.
What are the key properties of (4-acetamidophenyl) 3-piperidin-1-ylpropanoate;hydrochloride?
(4-acetamidophenyl) 3-piperidin-1-ylpropanoate;hydrochloride has a molecular weight of 326.82 g/mol, XLogP of 2.85, 5 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (4-acetamidophenyl) 3-piperidin-1-ylpropanoate;hydrochloride is sourced from PubChem (CID 56680027), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).