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

C19H28N2O3 — CID 2902504

IUPACethyl 1-[3-(3,5-dimethylanilino)-3-oxopropyl]piperidine-3-carboxylate
SMILESCCOC(=O)C1CCCN(CCC(=O)Nc2cc(C)cc(C)c2)C1
InChIInChI=1S/C19H28N2O3/c1-4-24-19(23)16-6-5-8-21(13-16)9-7-18(22)20-17-11-14(2)10-15(3)12-17/h10-12,16H,4-9,13H2,1-3H3,(H,20,22)
InChIKeyXVILRDKHULNENT-UHFFFAOYSA-N
MW332.44 g/mol
LogP2.91
Rot. Bonds6

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

ethyl 1-[3-(3,5-dimethylanilino)-3-oxopropyl]piperidine-3-carboxylate (PubChem CID 2902504) has the molecular formula C19H28N2O3 and a molecular weight of 332.44 g/mol. Its IUPAC name is ethyl 1-[3-(3,5-dimethylanilino)-3-oxopropyl]piperidine-3-carboxylate.

Molecular Properties

Compound Nameethyl 1-[3-(3,5-dimethylanilino)-3-oxopropyl]piperidine-3-carboxylate
PubChem CID2902504
Molecular FormulaC19H28N2O3
Molecular Weight332.44 g/mol
Exact Mass332.21
IUPAC Nameethyl 1-[3-(3,5-dimethylanilino)-3-oxopropyl]piperidine-3-carboxylate
SMILESCCOC(=O)C1CCCN(CCC(=O)Nc2cc(C)cc(C)c2)C1
InChIInChI=1S/C19H28N2O3/c1-4-24-19(23)16-6-5-8-21(13-16)9-7-18(22)20-17-11-14(2)10-15(3)12-17/h10-12,16H,4-9,13H2,1-3H3,(H,20,22)
InChIKeyXVILRDKHULNENT-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
Ethyl 1-(phenylcarbamoyl)piperidine-3-carboxylate
CID 2973554
Ethyl 1-[3-oxo-3-(4-toluidino)propyl]-4-piperidinecarboxylate
CID 772564
Ethyl 1-(3-((2,5-dimethylphenyl)amino)-3-oxopropyl)piperidine-4-carboxylate
CID 739973
ethyl 1-{2-[N-(3,5-dimethylphenyl)carbamoyl]ethyl}piperidine-4-carboxylate
CID 771546
Ethyl 1-[3-(2-methylanilino)-3-oxopropyl]piperidine-3-carboxylate;hydrochloride
CID 2902741
Ethyl 1-[1-(3-methylphenyl)-2,5-dioxo-3-pyrrolidinyl]-3-piperidinecarboxylate
CID 663254
1-[3-Oxo-3-(3-toluidino)propyl]-4-piperidinecarboxamide
CID 739961
N-(3,5-dimethylphenyl)-3-morpholin-4-ylpropanamide
CID 771505
ethyl 1-[3-(2,3-dihydro-1H-inden-5-ylamino)-3-oxopropyl]piperidine-3-carboxylate
CID 644893
3-(2,6-dimethylmorpholin-4-yl)-N-(3,5-dimethylphenyl)propanamide
CID 647735
1-[2-(4-Bromo-3-methyl-phenylcarbamoyl)-ethyl]-piperidine-3-carboxylic acid ethyl ester
CID 2902208

Frequently Asked Questions

What is the IUPAC name of ethyl 1-[3-(3,5-dimethylanilino)-3-oxopropyl]piperidine-3-carboxylate?
The IUPAC name of ethyl 1-[3-(3,5-dimethylanilino)-3-oxopropyl]piperidine-3-carboxylate (CID 2902504) is ethyl 1-[3-(3,5-dimethylanilino)-3-oxopropyl]piperidine-3-carboxylate.
What is the SMILES notation for ethyl 1-[3-(3,5-dimethylanilino)-3-oxopropyl]piperidine-3-carboxylate?
The canonical SMILES for ethyl 1-[3-(3,5-dimethylanilino)-3-oxopropyl]piperidine-3-carboxylate is CCOC(=O)C1CCCN(CCC(=O)Nc2cc(C)cc(C)c2)C1.
What is the InChIKey of ethyl 1-[3-(3,5-dimethylanilino)-3-oxopropyl]piperidine-3-carboxylate?
The InChIKey is XVILRDKHULNENT-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H28N2O3/c1-4-24-19(23)16-6-5-8-21(13-16)9-7-18(22)20-17-11-14(2)10-15(3)12-17/h10-12,16H,4-9,13H2,1-3H3,(H,20,22).
What are the key properties of ethyl 1-[3-(3,5-dimethylanilino)-3-oxopropyl]piperidine-3-carboxylate?
ethyl 1-[3-(3,5-dimethylanilino)-3-oxopropyl]piperidine-3-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-(3,5-dimethylanilino)-3-oxopropyl]piperidine-3-carboxylate is sourced from PubChem (CID 2902504), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).