ethyl 1-[3-(2-methylanilino)-3-oxopropyl]piperidine-3-carboxylate;hydrochloride

C18H27ClN2O3 — CID 2902741

IUPACethyl 1-[3-(2-methylanilino)-3-oxopropyl]piperidine-3-carboxylate;hydrochloride
SMILESCCOC(=O)C1CCCN(CCC(=O)Nc2ccccc2C)C1.Cl
InChIInChI=1S/C18H26N2O3.ClH/c1-3-23-18(22)15-8-6-11-20(13-15)12-10-17(21)19-16-9-5-4-7-14(16)2;/h4-5,7,9,15H,3,6,8,10-13H2,1-2H3,(H,19,21);1H
InChIKeyJPYBZXYIUZSAKQ-UHFFFAOYSA-N
MW354.88 g/mol
LogP3.02
Rot. Bonds6

About ethyl 1-[3-(2-methylanilino)-3-oxopropyl]piperidine-3-carboxylate;hydrochloride

ethyl 1-[3-(2-methylanilino)-3-oxopropyl]piperidine-3-carboxylate;hydrochloride (PubChem CID 2902741) has the molecular formula C18H27ClN2O3 and a molecular weight of 354.88 g/mol. Its IUPAC name is ethyl 1-[3-(2-methylanilino)-3-oxopropyl]piperidine-3-carboxylate;hydrochloride.

Molecular Properties

Compound Nameethyl 1-[3-(2-methylanilino)-3-oxopropyl]piperidine-3-carboxylate;hydrochloride
PubChem CID2902741
Molecular FormulaC18H27ClN2O3
Molecular Weight354.88 g/mol
Exact Mass354.17
IUPAC Nameethyl 1-[3-(2-methylanilino)-3-oxopropyl]piperidine-3-carboxylate;hydrochloride
SMILESCCOC(=O)C1CCCN(CCC(=O)Nc2ccccc2C)C1.Cl
InChIInChI=1S/C18H26N2O3.ClH/c1-3-23-18(22)15-8-6-11-20(13-15)12-10-17(21)19-16-9-5-4-7-14(16)2;/h4-5,7,9,15H,3,6,8,10-13H2,1-2H3,(H,19,21);1H
InChIKeyJPYBZXYIUZSAKQ-UHFFFAOYSA-N
XLogP3.02
TPSA58.64 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500354.88
LogP ≤ 53.02
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-((4-fluorophenyl)amino)-3-oxopropyl)piperidine-4-carboxylate
CID 740130
(3R)-1-[2-(2-benzo[b][1]benzazepin-11-ylethoxy)ethyl]piperidine-3-carboxylic acid;hydrochloride
CID 24842599
ethyl 1-[3-(2,3-dihydro-1H-inden-5-ylamino)-3-oxopropyl]piperidine-3-carboxylate
CID 644893
Ethyl 1-{[2-(acetylamino)phenyl]carbonyl}piperidine-4-carboxylate
CID 869427
1-[2-(4-Bromo-3-methyl-phenylcarbamoyl)-ethyl]-piperidine-3-carboxylic acid ethyl ester
CID 2902208
Ethyl 1-{3-[(2,5-dimethylphenyl)amino]-3-oxopropyl}-3-piperidinecarboxylate hydrochloride
CID 2902546
Ethyl 1-[4-(pentanoylamino)benzoyl]-3-piperidinecarboxylate
CID 2957284

Frequently Asked Questions

What is the IUPAC name of ethyl 1-[3-(2-methylanilino)-3-oxopropyl]piperidine-3-carboxylate;hydrochloride?
The IUPAC name of ethyl 1-[3-(2-methylanilino)-3-oxopropyl]piperidine-3-carboxylate;hydrochloride (CID 2902741) is ethyl 1-[3-(2-methylanilino)-3-oxopropyl]piperidine-3-carboxylate;hydrochloride.
What is the SMILES notation for ethyl 1-[3-(2-methylanilino)-3-oxopropyl]piperidine-3-carboxylate;hydrochloride?
The canonical SMILES for ethyl 1-[3-(2-methylanilino)-3-oxopropyl]piperidine-3-carboxylate;hydrochloride is CCOC(=O)C1CCCN(CCC(=O)Nc2ccccc2C)C1.Cl.
What is the InChIKey of ethyl 1-[3-(2-methylanilino)-3-oxopropyl]piperidine-3-carboxylate;hydrochloride?
The InChIKey is JPYBZXYIUZSAKQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H26N2O3.ClH/c1-3-23-18(22)15-8-6-11-20(13-15)12-10-17(21)19-16-9-5-4-7-14(16)2;/h4-5,7,9,15H,3,6,8,10-13H2,1-2H3,(H,19,21);1H.
What are the key properties of ethyl 1-[3-(2-methylanilino)-3-oxopropyl]piperidine-3-carboxylate;hydrochloride?
ethyl 1-[3-(2-methylanilino)-3-oxopropyl]piperidine-3-carboxylate;hydrochloride has a molecular weight of 354.88 g/mol, XLogP of 3.02, 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-methylanilino)-3-oxopropyl]piperidine-3-carboxylate;hydrochloride is sourced from PubChem (CID 2902741), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).