N-[2-(dimethylamino)-2-(4-ethylphenyl)ethyl]-2-(2-oxopiperidin-1-yl)-2-phenylacetamide

C25H33N3O2 — CID 56538470

IUPACN-[2-(dimethylamino)-2-(4-ethylphenyl)ethyl]-2-(2-oxopiperidin-1-yl)-2-phenylacetamide
SMILESCCc1ccc(C(CNC(=O)C(c2ccccc2)N2CCCCC2=O)N(C)C)cc1
InChIInChI=1S/C25H33N3O2/c1-4-19-13-15-20(16-14-19)22(27(2)3)18-26-25(30)24(21-10-6-5-7-11-21)28-17-9-8-12-23(28)29/h5-7,10-11,13-16,22,24H,4,8-9,12,17-18H2,1-3H3,(H,26,30)
InChIKeyHEOLBGPVTBTHNI-UHFFFAOYSA-N
MW407.56 g/mol
LogP3.72
Rot. Bonds8

About N-[2-(dimethylamino)-2-(4-ethylphenyl)ethyl]-2-(2-oxopiperidin-1-yl)-2-phenylacetamide

N-[2-(dimethylamino)-2-(4-ethylphenyl)ethyl]-2-(2-oxopiperidin-1-yl)-2-phenylacetamide (PubChem CID 56538470) has the molecular formula C25H33N3O2 and a molecular weight of 407.56 g/mol. Its IUPAC name is N-[2-(dimethylamino)-2-(4-ethylphenyl)ethyl]-2-(2-oxopiperidin-1-yl)-2-phenylacetamide.

Molecular Properties

Compound NameN-[2-(dimethylamino)-2-(4-ethylphenyl)ethyl]-2-(2-oxopiperidin-1-yl)-2-phenylacetamide
PubChem CID56538470
Molecular FormulaC25H33N3O2
Molecular Weight407.56 g/mol
Exact Mass407.26
IUPAC NameN-[2-(dimethylamino)-2-(4-ethylphenyl)ethyl]-2-(2-oxopiperidin-1-yl)-2-phenylacetamide
SMILESCCc1ccc(C(CNC(=O)C(c2ccccc2)N2CCCCC2=O)N(C)C)cc1
InChIInChI=1S/C25H33N3O2/c1-4-19-13-15-20(16-14-19)22(27(2)3)18-26-25(30)24(21-10-6-5-7-11-21)28-17-9-8-12-23(28)29/h5-7,10-11,13-16,22,24H,4,8-9,12,17-18H2,1-3H3,(H,26,30)
InChIKeyHEOLBGPVTBTHNI-UHFFFAOYSA-N
XLogP3.72
TPSA52.65 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds8
Heavy Atoms30
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500407.56
LogP ≤ 53.72
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

N-(3-aminopropyl)-2-(2-oxopiperidin-1-yl)-2-phenylacetamide;hydrochloride
CID 119406812
N-(cyclopropylmethyl)-2-(2-oxopiperidin-1-yl)-2-phenylacetamide
CID 56515214
N-(3-hydroxy-4-methylpentyl)-2-(2-oxopiperidin-1-yl)-2-phenylacetamide
CID 111461259
2-(2-oxopiperidin-1-yl)-2-phenyl-N-[1-(4-propan-2-ylphenyl)ethyl]acetamide
CID 56574475
2-(2-oxopiperidin-1-yl)-2-phenyl-N-[[4-(phenylmethoxymethyl)phenyl]methyl]acetamide
CID 56577878
N-[[2-[(4-ethylpiperazin-1-yl)methyl]phenyl]methyl]-2-(2-oxopiperidin-1-yl)-2-phenylacetamide
CID 56505818
N-(3-cyclopentylpropyl)-2-(2-oxopiperidin-1-yl)-2-phenylacetamide
CID 56577591
N-[2-(4-chlorophenyl)-2-morpholin-4-ylethyl]-2-(2-oxopiperidin-1-yl)-2-phenylacetamide
CID 56512944
N-methyl-2-(2-oxopyrrolidin-1-yl)-2-phenylacetamide
CID 123551367
N-[2-(2-ethylanilino)-2-oxoethyl]-N-methyl-2-(2-oxopiperidin-1-yl)-2-phenylacetamide
CID 56515351
N-[2-(3-bromo-4-fluorophenyl)ethyl]-2-(2-oxopiperidin-1-yl)-2-phenylacetamide
CID 56505972
N-[2-(3,5-dimethylphenoxy)ethyl]-2-(2-oxopiperidin-1-yl)-2-phenylacetamide
CID 56513328

Frequently Asked Questions

What is the IUPAC name of N-[2-(dimethylamino)-2-(4-ethylphenyl)ethyl]-2-(2-oxopiperidin-1-yl)-2-phenylacetamide?
The IUPAC name of N-[2-(dimethylamino)-2-(4-ethylphenyl)ethyl]-2-(2-oxopiperidin-1-yl)-2-phenylacetamide (CID 56538470) is N-[2-(dimethylamino)-2-(4-ethylphenyl)ethyl]-2-(2-oxopiperidin-1-yl)-2-phenylacetamide.
What is the SMILES notation for N-[2-(dimethylamino)-2-(4-ethylphenyl)ethyl]-2-(2-oxopiperidin-1-yl)-2-phenylacetamide?
The canonical SMILES for N-[2-(dimethylamino)-2-(4-ethylphenyl)ethyl]-2-(2-oxopiperidin-1-yl)-2-phenylacetamide is CCc1ccc(C(CNC(=O)C(c2ccccc2)N2CCCCC2=O)N(C)C)cc1.
What is the InChIKey of N-[2-(dimethylamino)-2-(4-ethylphenyl)ethyl]-2-(2-oxopiperidin-1-yl)-2-phenylacetamide?
The InChIKey is HEOLBGPVTBTHNI-UHFFFAOYSA-N. The full InChI is InChI=1S/C25H33N3O2/c1-4-19-13-15-20(16-14-19)22(27(2)3)18-26-25(30)24(21-10-6-5-7-11-21)28-17-9-8-12-23(28)29/h5-7,10-11,13-16,22,24H,4,8-9,12,17-18H2,1-3H3,(H,26,30).
What are the key properties of N-[2-(dimethylamino)-2-(4-ethylphenyl)ethyl]-2-(2-oxopiperidin-1-yl)-2-phenylacetamide?
N-[2-(dimethylamino)-2-(4-ethylphenyl)ethyl]-2-(2-oxopiperidin-1-yl)-2-phenylacetamide has a molecular weight of 407.56 g/mol, XLogP of 3.72, 8 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-(dimethylamino)-2-(4-ethylphenyl)ethyl]-2-(2-oxopiperidin-1-yl)-2-phenylacetamide is sourced from PubChem (CID 56538470), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).