ethyl 1-[3-(2,5-dimethylanilino)-3-oxopropyl]piperidine-4-carboxylate

C19H28N2O3 — CID 739973

IUPACethyl 1-[3-(2,5-dimethylanilino)-3-oxopropyl]piperidine-4-carboxylate
SMILESCCOC(=O)C1CCN(CCC(=O)Nc2cc(C)ccc2C)CC1
InChIInChI=1S/C19H28N2O3/c1-4-24-19(23)16-7-10-21(11-8-16)12-9-18(22)20-17-13-14(2)5-6-15(17)3/h5-6,13,16H,4,7-12H2,1-3H3,(H,20,22)
InChIKeyWZJDAXVGOFTSII-UHFFFAOYSA-N
MW332.44 g/mol
LogP2.91
Rot. Bonds6

About ethyl 1-[3-(2,5-dimethylanilino)-3-oxopropyl]piperidine-4-carboxylate

ethyl 1-[3-(2,5-dimethylanilino)-3-oxopropyl]piperidine-4-carboxylate (PubChem CID 739973) has the molecular formula C19H28N2O3 and a molecular weight of 332.44 g/mol. Its IUPAC name is ethyl 1-[3-(2,5-dimethylanilino)-3-oxopropyl]piperidine-4-carboxylate.

Molecular Properties

Compound Nameethyl 1-[3-(2,5-dimethylanilino)-3-oxopropyl]piperidine-4-carboxylate
PubChem CID739973
Molecular FormulaC19H28N2O3
Molecular Weight332.44 g/mol
Exact Mass332.21
IUPAC Nameethyl 1-[3-(2,5-dimethylanilino)-3-oxopropyl]piperidine-4-carboxylate
SMILESCCOC(=O)C1CCN(CCC(=O)Nc2cc(C)ccc2C)CC1
InChIInChI=1S/C19H28N2O3/c1-4-24-19(23)16-7-10-21(11-8-16)12-9-18(22)20-17-13-14(2)5-6-15(17)3/h5-6,13,16H,4,7-12H2,1-3H3,(H,20,22)
InChIKeyWZJDAXVGOFTSII-UHFFFAOYSA-N
XLogP2.91
TPSA58.64 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500332.44
LogP ≤ 52.91
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

Ethyl 1-[3-(3,4-dimethylanilino)-3-oxopropyl]piperidine-4-carboxylate
CID 740689
1-cyclohexyl-N-(2,5-dimethylphenyl)-5-oxopyrrolidine-3-carboxamide
CID 2844150
Ethyl 1-[3-oxo-3-(4-toluidino)propyl]-4-piperidinecarboxylate
CID 772564
N-(2,5-dimethylphenyl)-3-(4-ethylpiperazin-1-yl)propanamide
CID 719536
ethyl 1-{2-[N-(3,5-dimethylphenyl)carbamoyl]ethyl}piperidine-4-carboxylate
CID 771546
N-(2,5-dimethylphenyl)-3-(4-methylpiperidin-1-yl)propanamide
CID 771787
N-(2,5-dimethylphenyl)-3-(4-methylpiperazin-1-yl)propanamide
CID 937387
3-(4-Methyl-piperidin-1-yl)-N-m-tolyl-propionamide
CID 1149647
Methyl 1-(2-oxo-1,2-dihydroquinoline-4-carbonyl)piperidine-4-carboxylate
CID 2412045
Ethyl 1-[3-(2-methylanilino)-3-oxopropyl]piperidine-3-carboxylate;hydrochloride
CID 2902741
N-(2,5-dimethylphenyl)-3-(3-methylpiperidin-1-yl)propanamide
CID 3145283
3-(3,5-Dimethyl-piperidin-1-yl)-N-m-tolyl-propionamide
CID 24747083

Frequently Asked Questions

What is the IUPAC name of ethyl 1-[3-(2,5-dimethylanilino)-3-oxopropyl]piperidine-4-carboxylate?
The IUPAC name of ethyl 1-[3-(2,5-dimethylanilino)-3-oxopropyl]piperidine-4-carboxylate (CID 739973) is ethyl 1-[3-(2,5-dimethylanilino)-3-oxopropyl]piperidine-4-carboxylate.
What is the SMILES notation for ethyl 1-[3-(2,5-dimethylanilino)-3-oxopropyl]piperidine-4-carboxylate?
The canonical SMILES for ethyl 1-[3-(2,5-dimethylanilino)-3-oxopropyl]piperidine-4-carboxylate is CCOC(=O)C1CCN(CCC(=O)Nc2cc(C)ccc2C)CC1.
What is the InChIKey of ethyl 1-[3-(2,5-dimethylanilino)-3-oxopropyl]piperidine-4-carboxylate?
The InChIKey is WZJDAXVGOFTSII-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H28N2O3/c1-4-24-19(23)16-7-10-21(11-8-16)12-9-18(22)20-17-13-14(2)5-6-15(17)3/h5-6,13,16H,4,7-12H2,1-3H3,(H,20,22).
What are the key properties of ethyl 1-[3-(2,5-dimethylanilino)-3-oxopropyl]piperidine-4-carboxylate?
ethyl 1-[3-(2,5-dimethylanilino)-3-oxopropyl]piperidine-4-carboxylate has a molecular weight of 332.44 g/mol, XLogP of 2.91, 6 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for ethyl 1-[3-(2,5-dimethylanilino)-3-oxopropyl]piperidine-4-carboxylate is sourced from PubChem (CID 739973), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).