N-[1-[2-(4-chlorophenyl)-2-oxoethyl]piperidin-4-yl]-3-(2-ethylphenoxy)-2,2-dimethylpropanamide

C26H33ClN2O3 — CID 146402070

IUPACN-[1-[2-(4-chlorophenyl)-2-oxoethyl]piperidin-4-yl]-3-(2-ethylphenoxy)-2,2-dimethylpropanamide
SMILESCCc1ccccc1OCC(C)(C)C(=O)NC1CCN(CC(=O)c2ccc(Cl)cc2)CC1
InChIInChI=1S/C26H33ClN2O3/c1-4-19-7-5-6-8-24(19)32-18-26(2,3)25(31)28-22-13-15-29(16-14-22)17-23(30)20-9-11-21(27)12-10-20/h5-12,22H,4,13-18H2,1-3H3,(H,28,31)
InChIKeySUNPVTURBDMXEP-UHFFFAOYSA-N
MW457.01 g/mol
LogP4.77
Rot. Bonds9

About N-[1-[2-(4-chlorophenyl)-2-oxoethyl]piperidin-4-yl]-3-(2-ethylphenoxy)-2,2-dimethylpropanamide

N-[1-[2-(4-chlorophenyl)-2-oxoethyl]piperidin-4-yl]-3-(2-ethylphenoxy)-2,2-dimethylpropanamide (PubChem CID 146402070) has the molecular formula C26H33ClN2O3 and a molecular weight of 457.01 g/mol. Its IUPAC name is N-[1-[2-(4-chlorophenyl)-2-oxoethyl]piperidin-4-yl]-3-(2-ethylphenoxy)-2,2-dimethylpropanamide.

Molecular Properties

Compound NameN-[1-[2-(4-chlorophenyl)-2-oxoethyl]piperidin-4-yl]-3-(2-ethylphenoxy)-2,2-dimethylpropanamide
PubChem CID146402070
Molecular FormulaC26H33ClN2O3
Molecular Weight457.01 g/mol
Exact Mass456.22
IUPAC NameN-[1-[2-(4-chlorophenyl)-2-oxoethyl]piperidin-4-yl]-3-(2-ethylphenoxy)-2,2-dimethylpropanamide
SMILESCCc1ccccc1OCC(C)(C)C(=O)NC1CCN(CC(=O)c2ccc(Cl)cc2)CC1
InChIInChI=1S/C26H33ClN2O3/c1-4-19-7-5-6-8-24(19)32-18-26(2,3)25(31)28-22-13-15-29(16-14-22)17-23(30)20-9-11-21(27)12-10-20/h5-12,22H,4,13-18H2,1-3H3,(H,28,31)
InChIKeySUNPVTURBDMXEP-UHFFFAOYSA-N
XLogP4.77
TPSA58.64 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds9
Heavy Atoms32
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500457.01
LogP ≤ 54.77
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of N-[1-[2-(4-chlorophenyl)-2-oxoethyl]piperidin-4-yl]-3-(2-ethylphenoxy)-2,2-dimethylpropanamide?
The IUPAC name of N-[1-[2-(4-chlorophenyl)-2-oxoethyl]piperidin-4-yl]-3-(2-ethylphenoxy)-2,2-dimethylpropanamide (CID 146402070) is N-[1-[2-(4-chlorophenyl)-2-oxoethyl]piperidin-4-yl]-3-(2-ethylphenoxy)-2,2-dimethylpropanamide.
What is the SMILES notation for N-[1-[2-(4-chlorophenyl)-2-oxoethyl]piperidin-4-yl]-3-(2-ethylphenoxy)-2,2-dimethylpropanamide?
The canonical SMILES for N-[1-[2-(4-chlorophenyl)-2-oxoethyl]piperidin-4-yl]-3-(2-ethylphenoxy)-2,2-dimethylpropanamide is CCc1ccccc1OCC(C)(C)C(=O)NC1CCN(CC(=O)c2ccc(Cl)cc2)CC1.
What is the InChIKey of N-[1-[2-(4-chlorophenyl)-2-oxoethyl]piperidin-4-yl]-3-(2-ethylphenoxy)-2,2-dimethylpropanamide?
The InChIKey is SUNPVTURBDMXEP-UHFFFAOYSA-N. The full InChI is InChI=1S/C26H33ClN2O3/c1-4-19-7-5-6-8-24(19)32-18-26(2,3)25(31)28-22-13-15-29(16-14-22)17-23(30)20-9-11-21(27)12-10-20/h5-12,22H,4,13-18H2,1-3H3,(H,28,31).
What are the key properties of N-[1-[2-(4-chlorophenyl)-2-oxoethyl]piperidin-4-yl]-3-(2-ethylphenoxy)-2,2-dimethylpropanamide?
N-[1-[2-(4-chlorophenyl)-2-oxoethyl]piperidin-4-yl]-3-(2-ethylphenoxy)-2,2-dimethylpropanamide has a molecular weight of 457.01 g/mol, XLogP of 4.77, 9 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[1-[2-(4-chlorophenyl)-2-oxoethyl]piperidin-4-yl]-3-(2-ethylphenoxy)-2,2-dimethylpropanamide is sourced from PubChem (CID 146402070), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).