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

C17H23ClN2O3 — CID 740109

IUPACethyl 1-[3-(4-chloroanilino)-3-oxopropyl]piperidine-4-carboxylate
SMILESCCOC(=O)C1CCN(CCC(=O)Nc2ccc(Cl)cc2)CC1
InChIInChI=1S/C17H23ClN2O3/c1-2-23-17(22)13-7-10-20(11-8-13)12-9-16(21)19-15-5-3-14(18)4-6-15/h3-6,13H,2,7-12H2,1H3,(H,19,21)
InChIKeyQLPHPTMTNGKARV-UHFFFAOYSA-N
MW338.83 g/mol
LogP2.94
Rot. Bonds6

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

ethyl 1-[3-(4-chloroanilino)-3-oxopropyl]piperidine-4-carboxylate (PubChem CID 740109) has the molecular formula C17H23ClN2O3 and a molecular weight of 338.83 g/mol. Its IUPAC name is ethyl 1-[3-(4-chloroanilino)-3-oxopropyl]piperidine-4-carboxylate.

Molecular Properties

Compound Nameethyl 1-[3-(4-chloroanilino)-3-oxopropyl]piperidine-4-carboxylate
PubChem CID740109
Molecular FormulaC17H23ClN2O3
Molecular Weight338.83 g/mol
Exact Mass338.14
IUPAC Nameethyl 1-[3-(4-chloroanilino)-3-oxopropyl]piperidine-4-carboxylate
SMILESCCOC(=O)C1CCN(CCC(=O)Nc2ccc(Cl)cc2)CC1
InChIInChI=1S/C17H23ClN2O3/c1-2-23-17(22)13-7-10-20(11-8-13)12-9-16(21)19-15-5-3-14(18)4-6-15/h3-6,13H,2,7-12H2,1H3,(H,19,21)
InChIKeyQLPHPTMTNGKARV-UHFFFAOYSA-N
XLogP2.94
TPSA58.64 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500338.83
LogP ≤ 52.94
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

ethyl 1-[3-(4-bromoanilino)-3-oxopropyl]piperidine-4-carboxylate
CID 1149589
ethyl 1-[3-(3,4-difluoroanilino)-3-oxopropyl]piperidine-4-carboxylate
CID 739948
ethyl (3R)-1-[3-(4-chloroanilino)-3-oxopropyl]piperidine-3-carboxylate
CID 740099
ethyl 1-[3-oxo-3-(4-sulfamoylanilino)propyl]piperidine-4-carboxylate
CID 24588628
ethyl 1-[2-[4-(butanoylamino)anilino]-2-oxoethyl]piperidine-4-carboxylate
CID 54837939
ethyl 1-[3-(3,5-dimethoxyanilino)-3-oxopropyl]piperidine-4-carboxylate;hydrochloride
CID 90483657
ethyl 1-[2-(4-chlorophenoxy)ethyl]piperidine-4-carboxylate
CID 27186861
N-(4-chlorophenyl)-3-piperidin-1-ylpropanamide chloride
CID 45109691
ethyl 1-[2-[4-(ethylcarbamoyl)anilino]-2-oxoethyl]piperidine-4-carboxylate
CID 54840557
ethyl 1-[3-(4-chlorophenyl)sulfanylpropyl]piperidine-4-carboxylate;hydrochloride
CID 6461141
ethyl 1-[3-oxo-3-(4-sulfamoylanilino)propyl]piperidine-3-carboxylate
CID 24588712
N-(4-chlorophenyl)-3-[4-(2-methylpropyl)piperazin-1-yl]propanamide
CID 60503579

Frequently Asked Questions

What is the IUPAC name of ethyl 1-[3-(4-chloroanilino)-3-oxopropyl]piperidine-4-carboxylate?
The IUPAC name of ethyl 1-[3-(4-chloroanilino)-3-oxopropyl]piperidine-4-carboxylate (CID 740109) is ethyl 1-[3-(4-chloroanilino)-3-oxopropyl]piperidine-4-carboxylate.
What is the SMILES notation for ethyl 1-[3-(4-chloroanilino)-3-oxopropyl]piperidine-4-carboxylate?
The canonical SMILES for ethyl 1-[3-(4-chloroanilino)-3-oxopropyl]piperidine-4-carboxylate is CCOC(=O)C1CCN(CCC(=O)Nc2ccc(Cl)cc2)CC1.
What is the InChIKey of ethyl 1-[3-(4-chloroanilino)-3-oxopropyl]piperidine-4-carboxylate?
The InChIKey is QLPHPTMTNGKARV-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H23ClN2O3/c1-2-23-17(22)13-7-10-20(11-8-13)12-9-16(21)19-15-5-3-14(18)4-6-15/h3-6,13H,2,7-12H2,1H3,(H,19,21).
What are the key properties of ethyl 1-[3-(4-chloroanilino)-3-oxopropyl]piperidine-4-carboxylate?
ethyl 1-[3-(4-chloroanilino)-3-oxopropyl]piperidine-4-carboxylate has a molecular weight of 338.83 g/mol, XLogP of 2.94, 6 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for ethyl 1-[3-(4-chloroanilino)-3-oxopropyl]piperidine-4-carboxylate is sourced from PubChem (CID 740109), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).