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

C19H29ClN2O3 — CID 2902546

IUPACethyl 1-[3-(2,5-dimethylanilino)-3-oxopropyl]piperidine-3-carboxylate;hydrochloride
SMILESCCOC(=O)C1CCCN(CCC(=O)Nc2cc(C)ccc2C)C1.Cl
InChIInChI=1S/C19H28N2O3.ClH/c1-4-24-19(23)16-6-5-10-21(13-16)11-9-18(22)20-17-12-14(2)7-8-15(17)3;/h7-8,12,16H,4-6,9-11,13H2,1-3H3,(H,20,22);1H
InChIKeyTVXCTRSDTCYMFC-UHFFFAOYSA-N
MW368.91 g/mol
LogP3.33
Rot. Bonds6

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

ethyl 1-[3-(2,5-dimethylanilino)-3-oxopropyl]piperidine-3-carboxylate;hydrochloride (PubChem CID 2902546) has the molecular formula C19H29ClN2O3 and a molecular weight of 368.91 g/mol. Its IUPAC name is ethyl 1-[3-(2,5-dimethylanilino)-3-oxopropyl]piperidine-3-carboxylate;hydrochloride.

Molecular Properties

Compound Nameethyl 1-[3-(2,5-dimethylanilino)-3-oxopropyl]piperidine-3-carboxylate;hydrochloride
PubChem CID2902546
Molecular FormulaC19H29ClN2O3
Molecular Weight368.91 g/mol
Exact Mass368.19
IUPAC Nameethyl 1-[3-(2,5-dimethylanilino)-3-oxopropyl]piperidine-3-carboxylate;hydrochloride
SMILESCCOC(=O)C1CCCN(CCC(=O)Nc2cc(C)ccc2C)C1.Cl
InChIInChI=1S/C19H28N2O3.ClH/c1-4-24-19(23)16-6-5-10-21(13-16)11-9-18(22)20-17-12-14(2)7-8-15(17)3;/h7-8,12,16H,4-6,9-11,13H2,1-3H3,(H,20,22);1H
InChIKeyTVXCTRSDTCYMFC-UHFFFAOYSA-N
XLogP3.33
TPSA58.64 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500368.91
LogP ≤ 53.33
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
N-(2,5-dimethylphenyl)-3-(4-methylpiperidin-1-yl)propanamide
CID 771787
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
Ethyl 1-[1-(3-methylphenyl)-2,5-dioxo-3-pyrrolidinyl]-3-piperidinecarboxylate
CID 663254
Ethyl 4-[3-(2,5-dimethylanilino)-3-oxopropyl]piperazine-1-carboxylate
CID 704272
N-(2,5-dimethylphenyl)-3-piperidin-1-ylpropanamide
CID 739968
ethyl 1-[3-(2,3-dihydro-1H-inden-5-ylamino)-3-oxopropyl]piperidine-3-carboxylate
CID 644893

Frequently Asked Questions

What is the IUPAC name of ethyl 1-[3-(2,5-dimethylanilino)-3-oxopropyl]piperidine-3-carboxylate;hydrochloride?
The IUPAC name of ethyl 1-[3-(2,5-dimethylanilino)-3-oxopropyl]piperidine-3-carboxylate;hydrochloride (CID 2902546) is ethyl 1-[3-(2,5-dimethylanilino)-3-oxopropyl]piperidine-3-carboxylate;hydrochloride.
What is the SMILES notation for ethyl 1-[3-(2,5-dimethylanilino)-3-oxopropyl]piperidine-3-carboxylate;hydrochloride?
The canonical SMILES for ethyl 1-[3-(2,5-dimethylanilino)-3-oxopropyl]piperidine-3-carboxylate;hydrochloride is CCOC(=O)C1CCCN(CCC(=O)Nc2cc(C)ccc2C)C1.Cl.
What is the InChIKey of ethyl 1-[3-(2,5-dimethylanilino)-3-oxopropyl]piperidine-3-carboxylate;hydrochloride?
The InChIKey is TVXCTRSDTCYMFC-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H28N2O3.ClH/c1-4-24-19(23)16-6-5-10-21(13-16)11-9-18(22)20-17-12-14(2)7-8-15(17)3;/h7-8,12,16H,4-6,9-11,13H2,1-3H3,(H,20,22);1H.
What are the key properties of ethyl 1-[3-(2,5-dimethylanilino)-3-oxopropyl]piperidine-3-carboxylate;hydrochloride?
ethyl 1-[3-(2,5-dimethylanilino)-3-oxopropyl]piperidine-3-carboxylate;hydrochloride has a molecular weight of 368.91 g/mol, XLogP of 3.33, 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-3-carboxylate;hydrochloride is sourced from PubChem (CID 2902546), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).