4-(4-acetyl-2-methoxyphenoxy)-N-piperidin-4-ylbutanamide;hydrochloride

C18H27ClN2O4 — CID 119388425

IUPAC4-(4-acetyl-2-methoxyphenoxy)-N-piperidin-4-ylbutanamide;hydrochloride
SMILESCOc1cc(C(C)=O)ccc1OCCCC(=O)NC1CCNCC1.Cl
InChIInChI=1S/C18H26N2O4.ClH/c1-13(21)14-5-6-16(17(12-14)23-2)24-11-3-4-18(22)20-15-7-9-19-10-8-15;/h5-6,12,15,19H,3-4,7-11H2,1-2H3,(H,20,22);1H
InChIKeyCIRKPWPBOJBNIQ-UHFFFAOYSA-N
MW370.88 g/mol
LogP2.35
Rot. Bonds8

About 4-(4-acetyl-2-methoxyphenoxy)-N-piperidin-4-ylbutanamide;hydrochloride

4-(4-acetyl-2-methoxyphenoxy)-N-piperidin-4-ylbutanamide;hydrochloride (PubChem CID 119388425) has the molecular formula C18H27ClN2O4 and a molecular weight of 370.88 g/mol. Its IUPAC name is 4-(4-acetyl-2-methoxyphenoxy)-N-piperidin-4-ylbutanamide;hydrochloride.

Molecular Properties

Compound Name4-(4-acetyl-2-methoxyphenoxy)-N-piperidin-4-ylbutanamide;hydrochloride
PubChem CID119388425
Molecular FormulaC18H27ClN2O4
Molecular Weight370.88 g/mol
Exact Mass370.17
IUPAC Name4-(4-acetyl-2-methoxyphenoxy)-N-piperidin-4-ylbutanamide;hydrochloride
SMILESCOc1cc(C(C)=O)ccc1OCCCC(=O)NC1CCNCC1.Cl
InChIInChI=1S/C18H26N2O4.ClH/c1-13(21)14-5-6-16(17(12-14)23-2)24-11-3-4-18(22)20-15-7-9-19-10-8-15;/h5-6,12,15,19H,3-4,7-11H2,1-2H3,(H,20,22);1H
InChIKeyCIRKPWPBOJBNIQ-UHFFFAOYSA-N
XLogP2.35
TPSA76.66 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds8
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500370.88
LogP ≤ 52.35
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

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

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Related Compounds

4-(4-acetyl-2-methoxyphenoxy)-N-(2-methylpiperidin-4-yl)butanamide
CID 120601904
2-(5-acetyl-2-methoxyphenyl)-N-piperidin-4-ylacetamide;hydrochloride
CID 119385762
4-(4-acetyl-2-methoxyphenoxy)-N-methyl-N-piperidin-4-ylbutanamide
CID 119443099
2-(4-acetyl-2-methoxyphenoxy)-N-cyclooctylacetamide
CID 7962262
4-(4-acetylphenoxy)-N-piperidin-3-ylbutanamide;hydrochloride
CID 119424890
4-(4-acetyl-2-methoxyphenoxy)-N'-[4-(2,4-dichlorophenoxy)butanoyl]butanehydrazide
CID 55741701
N-[1-[4-(4-acetyl-2-methoxyphenoxy)butanoyl]piperidin-4-yl]benzamide
CID 46491795
4-naphthalen-1-yloxy-N-piperidin-4-ylbutanamide
CID 119390244
3-(3,4-dimethoxyphenyl)-N-pyrrolidin-3-ylpropanamide;hydrochloride
CID 119453910
6-(4-acetyl-2-methoxyphenoxy)hexan-2-one
CID 62029689
2-(2-methoxyphenoxy)-N-piperidin-4-ylacetamide
CID 28810945
4-(4-fluorophenoxy)-N-piperidin-4-ylbutanamide
CID 110464778

Frequently Asked Questions

What is the IUPAC name of 4-(4-acetyl-2-methoxyphenoxy)-N-piperidin-4-ylbutanamide;hydrochloride?
The IUPAC name of 4-(4-acetyl-2-methoxyphenoxy)-N-piperidin-4-ylbutanamide;hydrochloride (CID 119388425) is 4-(4-acetyl-2-methoxyphenoxy)-N-piperidin-4-ylbutanamide;hydrochloride.
What is the SMILES notation for 4-(4-acetyl-2-methoxyphenoxy)-N-piperidin-4-ylbutanamide;hydrochloride?
The canonical SMILES for 4-(4-acetyl-2-methoxyphenoxy)-N-piperidin-4-ylbutanamide;hydrochloride is COc1cc(C(C)=O)ccc1OCCCC(=O)NC1CCNCC1.Cl.
What is the InChIKey of 4-(4-acetyl-2-methoxyphenoxy)-N-piperidin-4-ylbutanamide;hydrochloride?
The InChIKey is CIRKPWPBOJBNIQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H26N2O4.ClH/c1-13(21)14-5-6-16(17(12-14)23-2)24-11-3-4-18(22)20-15-7-9-19-10-8-15;/h5-6,12,15,19H,3-4,7-11H2,1-2H3,(H,20,22);1H.
What are the key properties of 4-(4-acetyl-2-methoxyphenoxy)-N-piperidin-4-ylbutanamide;hydrochloride?
4-(4-acetyl-2-methoxyphenoxy)-N-piperidin-4-ylbutanamide;hydrochloride has a molecular weight of 370.88 g/mol, XLogP of 2.35, 8 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(4-acetyl-2-methoxyphenoxy)-N-piperidin-4-ylbutanamide;hydrochloride is sourced from PubChem (CID 119388425), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).