ethyl 1-[3-(2-chloroanilino)-3-oxopropyl]piperidine-4-carboxylate;hydrochloride

C17H24Cl2N2O3 — CID 2901311

IUPACethyl 1-[3-(2-chloroanilino)-3-oxopropyl]piperidine-4-carboxylate;hydrochloride
SMILESCCOC(=O)C1CCN(CCC(=O)Nc2ccccc2Cl)CC1.Cl
InChIInChI=1S/C17H23ClN2O3.ClH/c1-2-23-17(22)13-7-10-20(11-8-13)12-9-16(21)19-15-6-4-3-5-14(15)18;/h3-6,13H,2,7-12H2,1H3,(H,19,21);1H
InChIKeyCLDHUXPOKZTCPB-UHFFFAOYSA-N
MW375.30 g/mol
LogP3.37
Rot. Bonds6

About ethyl 1-[3-(2-chloroanilino)-3-oxopropyl]piperidine-4-carboxylate;hydrochloride

ethyl 1-[3-(2-chloroanilino)-3-oxopropyl]piperidine-4-carboxylate;hydrochloride (PubChem CID 2901311) has the molecular formula C17H24Cl2N2O3 and a molecular weight of 375.30 g/mol. Its IUPAC name is ethyl 1-[3-(2-chloroanilino)-3-oxopropyl]piperidine-4-carboxylate;hydrochloride.

Molecular Properties

Compound Nameethyl 1-[3-(2-chloroanilino)-3-oxopropyl]piperidine-4-carboxylate;hydrochloride
PubChem CID2901311
Molecular FormulaC17H24Cl2N2O3
Molecular Weight375.30 g/mol
Exact Mass374.12
IUPAC Nameethyl 1-[3-(2-chloroanilino)-3-oxopropyl]piperidine-4-carboxylate;hydrochloride
SMILESCCOC(=O)C1CCN(CCC(=O)Nc2ccccc2Cl)CC1.Cl
InChIInChI=1S/C17H23ClN2O3.ClH/c1-2-23-17(22)13-7-10-20(11-8-13)12-9-16(21)19-15-6-4-3-5-14(15)18;/h3-6,13H,2,7-12H2,1H3,(H,19,21);1H
InChIKeyCLDHUXPOKZTCPB-UHFFFAOYSA-N
XLogP3.37
TPSA58.64 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500375.30
LogP ≤ 53.37
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

Ethyl 1-[3-oxo-3-(4-toluidino)propyl]-4-piperidinecarboxylate
CID 772564
Ethyl 1-(3-((3-chlorophenyl)amino)-3-oxopropyl)piperidine-4-carboxylate
CID 740068
Ethyl 1-[3-(4-chloroanilino)-3-oxopropyl]piperidine-4-carboxylate
CID 740109
Ethyl 1-(3-((4-fluorophenyl)amino)-3-oxopropyl)piperidine-4-carboxylate
CID 740130
Ethyl 1-[1-[(2-chlorophenyl)carbamoylamino]cyclopentanecarbonyl]piperidine-4-carboxylate
CID 46947849
1-[2-[[(2,4-Dichloroanilino)-oxomethyl]amino]-2-methyl-1-oxopropyl]-4-piperidinecarboxylic acid ethyl ester
CID 50898226
Ethyl 1-((2-chlorophenyl)carbamoyl)piperidine-4-carboxylate
CID 713037
Ethyl 1-{[(2,4-dichlorophenyl)amino]carbonyl}-4-piperidinecarboxylate
CID 895061
N-(4-chlorophenyl)-3-(4-methylpiperidin-1-yl)propanamide;hydrochloride
CID 16187409
1-[2-(3-Chloro-2-methyl-phenylcarbamoyl)-ethyl]-piperidine-3-carboxylic acid ethyl ester
CID 23724390
Ethyl 1-[(3,5-dichloroanilino)carbonyl]-4-piperidinecarboxylate
CID 2813596
1-[2-(3-Chloro-2-methyl-phenylcarbamoyl)-ethyl]-piperidine-4-carboxylic acid ethyl ester
CID 652010

Frequently Asked Questions

What is the IUPAC name of ethyl 1-[3-(2-chloroanilino)-3-oxopropyl]piperidine-4-carboxylate;hydrochloride?
The IUPAC name of ethyl 1-[3-(2-chloroanilino)-3-oxopropyl]piperidine-4-carboxylate;hydrochloride (CID 2901311) is ethyl 1-[3-(2-chloroanilino)-3-oxopropyl]piperidine-4-carboxylate;hydrochloride.
What is the SMILES notation for ethyl 1-[3-(2-chloroanilino)-3-oxopropyl]piperidine-4-carboxylate;hydrochloride?
The canonical SMILES for ethyl 1-[3-(2-chloroanilino)-3-oxopropyl]piperidine-4-carboxylate;hydrochloride is CCOC(=O)C1CCN(CCC(=O)Nc2ccccc2Cl)CC1.Cl.
What is the InChIKey of ethyl 1-[3-(2-chloroanilino)-3-oxopropyl]piperidine-4-carboxylate;hydrochloride?
The InChIKey is CLDHUXPOKZTCPB-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H23ClN2O3.ClH/c1-2-23-17(22)13-7-10-20(11-8-13)12-9-16(21)19-15-6-4-3-5-14(15)18;/h3-6,13H,2,7-12H2,1H3,(H,19,21);1H.
What are the key properties of ethyl 1-[3-(2-chloroanilino)-3-oxopropyl]piperidine-4-carboxylate;hydrochloride?
ethyl 1-[3-(2-chloroanilino)-3-oxopropyl]piperidine-4-carboxylate;hydrochloride has a molecular weight of 375.30 g/mol, XLogP of 3.37, 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-chloroanilino)-3-oxopropyl]piperidine-4-carboxylate;hydrochloride is sourced from PubChem (CID 2901311), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).