4-(4-acetylphenoxy)-N-piperidin-3-ylbutanamide;hydrochloride

C17H25ClN2O3 — CID 119424890

IUPAC4-(4-acetylphenoxy)-N-piperidin-3-ylbutanamide;hydrochloride
SMILESCC(=O)c1ccc(OCCCC(=O)NC2CCCNC2)cc1.Cl
InChIInChI=1S/C17H24N2O3.ClH/c1-13(20)14-6-8-16(9-7-14)22-11-3-5-17(21)19-15-4-2-10-18-12-15;/h6-9,15,18H,2-5,10-12H2,1H3,(H,19,21);1H
InChIKeyGNOVJZMCAWWYBJ-UHFFFAOYSA-N
MW340.85 g/mol
LogP2.34
Rot. Bonds7

About 4-(4-acetylphenoxy)-N-piperidin-3-ylbutanamide;hydrochloride

4-(4-acetylphenoxy)-N-piperidin-3-ylbutanamide;hydrochloride (PubChem CID 119424890) has the molecular formula C17H25ClN2O3 and a molecular weight of 340.85 g/mol. Its IUPAC name is 4-(4-acetylphenoxy)-N-piperidin-3-ylbutanamide;hydrochloride.

Molecular Properties

Compound Name4-(4-acetylphenoxy)-N-piperidin-3-ylbutanamide;hydrochloride
PubChem CID119424890
Molecular FormulaC17H25ClN2O3
Molecular Weight340.85 g/mol
Exact Mass340.16
IUPAC Name4-(4-acetylphenoxy)-N-piperidin-3-ylbutanamide;hydrochloride
SMILESCC(=O)c1ccc(OCCCC(=O)NC2CCCNC2)cc1.Cl
InChIInChI=1S/C17H24N2O3.ClH/c1-13(20)14-6-8-16(9-7-14)22-11-3-5-17(21)19-15-4-2-10-18-12-15;/h6-9,15,18H,2-5,10-12H2,1H3,(H,19,21);1H
InChIKeyGNOVJZMCAWWYBJ-UHFFFAOYSA-N
XLogP2.34
TPSA67.43 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500340.85
LogP ≤ 52.34
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Related Compounds

5-(4-bromophenoxy)-N-piperidin-3-ylpentanamide;hydrochloride
CID 119424621
3-(4-methoxyphenoxy)-N-piperidin-3-ylpropanamide;hydrochloride
CID 119424848
N-piperidin-3-yl-3-(4-propoxyphenyl)propanamide;hydrochloride
CID 119427303
4-(4-methoxyphenyl)-4-oxo-N-piperidin-3-ylbutanamide;hydrochloride
CID 119426453
4-(4-methylsulfonylphenoxy)-N-pyrrolidin-3-ylbutanamide
CID 119454241
4-oxo-4-(4-pentoxyphenyl)-N-pyrrolidin-3-ylbutanamide;hydrochloride
CID 119453244
4-[4-(4-acetylphenoxy)butanoylamino]cyclohexane-1-carboxylic acid
CID 119229338
4-(4-methoxyphenyl)-4-oxo-N-piperidin-3-ylbutanamide
CID 119426454
5-(4-methylsulfonylphenoxy)-N-pyrrolidin-3-ylpentanamide;hydrochloride
CID 119451061
4-(4-fluorophenoxy)-N-piperidin-4-ylbutanamide
CID 110464778
4-pentoxy-N-pyrrolidin-3-ylbenzamide;hydrochloride
CID 119453192
4-[2-oxo-2-(piperidin-3-ylamino)ethoxy]benzamide
CID 119426792

Frequently Asked Questions

What is the IUPAC name of 4-(4-acetylphenoxy)-N-piperidin-3-ylbutanamide;hydrochloride?
The IUPAC name of 4-(4-acetylphenoxy)-N-piperidin-3-ylbutanamide;hydrochloride (CID 119424890) is 4-(4-acetylphenoxy)-N-piperidin-3-ylbutanamide;hydrochloride.
What is the SMILES notation for 4-(4-acetylphenoxy)-N-piperidin-3-ylbutanamide;hydrochloride?
The canonical SMILES for 4-(4-acetylphenoxy)-N-piperidin-3-ylbutanamide;hydrochloride is CC(=O)c1ccc(OCCCC(=O)NC2CCCNC2)cc1.Cl.
What is the InChIKey of 4-(4-acetylphenoxy)-N-piperidin-3-ylbutanamide;hydrochloride?
The InChIKey is GNOVJZMCAWWYBJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H24N2O3.ClH/c1-13(20)14-6-8-16(9-7-14)22-11-3-5-17(21)19-15-4-2-10-18-12-15;/h6-9,15,18H,2-5,10-12H2,1H3,(H,19,21);1H.
What are the key properties of 4-(4-acetylphenoxy)-N-piperidin-3-ylbutanamide;hydrochloride?
4-(4-acetylphenoxy)-N-piperidin-3-ylbutanamide;hydrochloride has a molecular weight of 340.85 g/mol, XLogP of 2.34, 7 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(4-acetylphenoxy)-N-piperidin-3-ylbutanamide;hydrochloride is sourced from PubChem (CID 119424890), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).