2-chloro-2-[4-(1-cyclobutylpiperidin-4-yl)oxyphenyl]acetamide

C17H23ClN2O2 — CID 142798153

IUPAC2-chloro-2-[4-(1-cyclobutylpiperidin-4-yl)oxyphenyl]acetamide
SMILESNC(=O)C(Cl)c1ccc(OC2CCN(C3CCC3)CC2)cc1
InChIInChI=1S/C17H23ClN2O2/c18-16(17(19)21)12-4-6-14(7-5-12)22-15-8-10-20(11-9-15)13-2-1-3-13/h4-7,13,15-16H,1-3,8-11H2,(H2,19,21)
InChIKeyJWKWICZBJBSUBZ-UHFFFAOYSA-N
MW322.84 g/mol
LogP2.85
Rot. Bonds5

About 2-chloro-2-[4-(1-cyclobutylpiperidin-4-yl)oxyphenyl]acetamide

2-chloro-2-[4-(1-cyclobutylpiperidin-4-yl)oxyphenyl]acetamide (PubChem CID 142798153) has the molecular formula C17H23ClN2O2 and a molecular weight of 322.84 g/mol. Its IUPAC name is 2-chloro-2-[4-(1-cyclobutylpiperidin-4-yl)oxyphenyl]acetamide.

Molecular Properties

Compound Name2-chloro-2-[4-(1-cyclobutylpiperidin-4-yl)oxyphenyl]acetamide
PubChem CID142798153
Molecular FormulaC17H23ClN2O2
Molecular Weight322.84 g/mol
Exact Mass322.14
IUPAC Name2-chloro-2-[4-(1-cyclobutylpiperidin-4-yl)oxyphenyl]acetamide
SMILESNC(=O)C(Cl)c1ccc(OC2CCN(C3CCC3)CC2)cc1
InChIInChI=1S/C17H23ClN2O2/c18-16(17(19)21)12-4-6-14(7-5-12)22-15-8-10-20(11-9-15)13-2-1-3-13/h4-7,13,15-16H,1-3,8-11H2,(H2,19,21)
InChIKeyJWKWICZBJBSUBZ-UHFFFAOYSA-N
XLogP2.85
TPSA55.56 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500322.84
LogP ≤ 52.85
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of 2-chloro-2-[4-(1-cyclobutylpiperidin-4-yl)oxyphenyl]acetamide?
The IUPAC name of 2-chloro-2-[4-(1-cyclobutylpiperidin-4-yl)oxyphenyl]acetamide (CID 142798153) is 2-chloro-2-[4-(1-cyclobutylpiperidin-4-yl)oxyphenyl]acetamide.
What is the SMILES notation for 2-chloro-2-[4-(1-cyclobutylpiperidin-4-yl)oxyphenyl]acetamide?
The canonical SMILES for 2-chloro-2-[4-(1-cyclobutylpiperidin-4-yl)oxyphenyl]acetamide is NC(=O)C(Cl)c1ccc(OC2CCN(C3CCC3)CC2)cc1.
What is the InChIKey of 2-chloro-2-[4-(1-cyclobutylpiperidin-4-yl)oxyphenyl]acetamide?
The InChIKey is JWKWICZBJBSUBZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H23ClN2O2/c18-16(17(19)21)12-4-6-14(7-5-12)22-15-8-10-20(11-9-15)13-2-1-3-13/h4-7,13,15-16H,1-3,8-11H2,(H2,19,21).
What are the key properties of 2-chloro-2-[4-(1-cyclobutylpiperidin-4-yl)oxyphenyl]acetamide?
2-chloro-2-[4-(1-cyclobutylpiperidin-4-yl)oxyphenyl]acetamide has a molecular weight of 322.84 g/mol, XLogP of 2.85, 5 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-chloro-2-[4-(1-cyclobutylpiperidin-4-yl)oxyphenyl]acetamide is sourced from PubChem (CID 142798153), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).