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

C18H27ClN2O3 — CID 119443722

IUPAC4-(3-acetylphenoxy)-N-methyl-N-piperidin-4-ylbutanamide;hydrochloride
SMILESCC(=O)c1cccc(OCCCC(=O)N(C)C2CCNCC2)c1.Cl
InChIInChI=1S/C18H26N2O3.ClH/c1-14(21)15-5-3-6-17(13-15)23-12-4-7-18(22)20(2)16-8-10-19-11-9-16;/h3,5-6,13,16,19H,4,7-12H2,1-2H3;1H
InChIKeyRXDIWGRQFDNLDU-UHFFFAOYSA-N
MW354.88 g/mol
LogP2.68
Rot. Bonds7

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

4-(3-acetylphenoxy)-N-methyl-N-piperidin-4-ylbutanamide;hydrochloride (PubChem CID 119443722) has the molecular formula C18H27ClN2O3 and a molecular weight of 354.88 g/mol. Its IUPAC name is 4-(3-acetylphenoxy)-N-methyl-N-piperidin-4-ylbutanamide;hydrochloride.

Molecular Properties

Compound Name4-(3-acetylphenoxy)-N-methyl-N-piperidin-4-ylbutanamide;hydrochloride
PubChem CID119443722
Molecular FormulaC18H27ClN2O3
Molecular Weight354.88 g/mol
Exact Mass354.17
IUPAC Name4-(3-acetylphenoxy)-N-methyl-N-piperidin-4-ylbutanamide;hydrochloride
SMILESCC(=O)c1cccc(OCCCC(=O)N(C)C2CCNCC2)c1.Cl
InChIInChI=1S/C18H26N2O3.ClH/c1-14(21)15-5-3-6-17(13-15)23-12-4-7-18(22)20(2)16-8-10-19-11-9-16;/h3,5-6,13,16,19H,4,7-12H2,1-2H3;1H
InChIKeyRXDIWGRQFDNLDU-UHFFFAOYSA-N
XLogP2.68
TPSA58.64 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500354.88
LogP ≤ 52.68
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Related Compounds

4-(3-acetylphenoxy)-N-methyl-N-pyrrolidin-3-ylbutanamide
CID 119553580
N-methyl-4-(3-methylphenoxy)-N-piperidin-4-ylbutanamide
CID 119442665
4-(4-acetyl-2-methoxyphenoxy)-N-methyl-N-piperidin-4-ylbutanamide
CID 119443099
4-(3-bromophenoxy)-N-methyl-N-pyrrolidin-3-ylbutanamide;hydrochloride
CID 119552447
4-(3-fluorophenoxy)-N-methyl-N-pyrrolidin-3-ylbutanamide
CID 119553657
3-(3-methoxypropoxy)-N-methyl-N-piperidin-4-ylbenzamide;hydrochloride
CID 119441938
4-(4-chloro-3-methylphenoxy)-N-methyl-N-piperidin-4-ylbutanamide;hydrochloride
CID 119442076
3-(2-methoxyethoxy)-N-methyl-N-piperidin-4-ylbenzamide
CID 119441131
3-ethoxy-N-methyl-N-piperidin-4-ylbenzamide
CID 119443526
2-(3-methoxyphenoxy)-N-methyl-N-piperidin-4-ylacetamide;hydrochloride
CID 119441734
3-(3,5-dimethylphenoxy)-N-methyl-N-piperidin-4-ylpropanamide
CID 119443487
3-[4-(3-acetylphenoxy)butanoyl-methylamino]propanoic acid
CID 119232841

Frequently Asked Questions

What is the IUPAC name of 4-(3-acetylphenoxy)-N-methyl-N-piperidin-4-ylbutanamide;hydrochloride?
The IUPAC name of 4-(3-acetylphenoxy)-N-methyl-N-piperidin-4-ylbutanamide;hydrochloride (CID 119443722) is 4-(3-acetylphenoxy)-N-methyl-N-piperidin-4-ylbutanamide;hydrochloride.
What is the SMILES notation for 4-(3-acetylphenoxy)-N-methyl-N-piperidin-4-ylbutanamide;hydrochloride?
The canonical SMILES for 4-(3-acetylphenoxy)-N-methyl-N-piperidin-4-ylbutanamide;hydrochloride is CC(=O)c1cccc(OCCCC(=O)N(C)C2CCNCC2)c1.Cl.
What is the InChIKey of 4-(3-acetylphenoxy)-N-methyl-N-piperidin-4-ylbutanamide;hydrochloride?
The InChIKey is RXDIWGRQFDNLDU-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H26N2O3.ClH/c1-14(21)15-5-3-6-17(13-15)23-12-4-7-18(22)20(2)16-8-10-19-11-9-16;/h3,5-6,13,16,19H,4,7-12H2,1-2H3;1H.
What are the key properties of 4-(3-acetylphenoxy)-N-methyl-N-piperidin-4-ylbutanamide;hydrochloride?
4-(3-acetylphenoxy)-N-methyl-N-piperidin-4-ylbutanamide;hydrochloride has a molecular weight of 354.88 g/mol, XLogP of 2.68, 7 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(3-acetylphenoxy)-N-methyl-N-piperidin-4-ylbutanamide;hydrochloride is sourced from PubChem (CID 119443722), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).