ethyl N-[1-[2-(2,4-dichloroanilino)-2-oxoethyl]piperidin-3-yl]carbamate

C16H21Cl2N3O3 — CID 78900590

IUPACethyl N-[1-[2-(2,4-dichloroanilino)-2-oxoethyl]piperidin-3-yl]carbamate
SMILESCCOC(=O)NC1CCCN(CC(=O)Nc2ccc(Cl)cc2Cl)C1
InChIInChI=1S/C16H21Cl2N3O3/c1-2-24-16(23)19-12-4-3-7-21(9-12)10-15(22)20-14-6-5-11(17)8-13(14)18/h5-6,8,12H,2-4,7,9-10H2,1H3,(H,19,23)(H,20,22)
InChIKeyOSKQBEGPGZPVDG-UHFFFAOYSA-N
MW374.27 g/mol
LogP3.14
Rot. Bonds5

About ethyl N-[1-[2-(2,4-dichloroanilino)-2-oxoethyl]piperidin-3-yl]carbamate

ethyl N-[1-[2-(2,4-dichloroanilino)-2-oxoethyl]piperidin-3-yl]carbamate (PubChem CID 78900590) has the molecular formula C16H21Cl2N3O3 and a molecular weight of 374.27 g/mol. Its IUPAC name is ethyl N-[1-[2-(2,4-dichloroanilino)-2-oxoethyl]piperidin-3-yl]carbamate.

Molecular Properties

Compound Nameethyl N-[1-[2-(2,4-dichloroanilino)-2-oxoethyl]piperidin-3-yl]carbamate
PubChem CID78900590
Molecular FormulaC16H21Cl2N3O3
Molecular Weight374.27 g/mol
Exact Mass373.10
IUPAC Nameethyl N-[1-[2-(2,4-dichloroanilino)-2-oxoethyl]piperidin-3-yl]carbamate
SMILESCCOC(=O)NC1CCCN(CC(=O)Nc2ccc(Cl)cc2Cl)C1
InChIInChI=1S/C16H21Cl2N3O3/c1-2-24-16(23)19-12-4-3-7-21(9-12)10-15(22)20-14-6-5-11(17)8-13(14)18/h5-6,8,12H,2-4,7,9-10H2,1H3,(H,19,23)(H,20,22)
InChIKeyOSKQBEGPGZPVDG-UHFFFAOYSA-N
XLogP3.14
TPSA70.67 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500374.27
LogP ≤ 53.14
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

ethyl 1-[2-(2,4-dichloroanilino)-2-oxoethyl]piperidine-4-carboxylate
CID 4818406
N-(2,5-dichlorophenyl)-2-[3-(methylamino)piperidin-1-yl]acetamide
CID 62545625
N-(2-chloro-4-fluorophenyl)-2-[3-(methylamino)piperidin-1-yl]acetamide
CID 62545627
N-(2-amino-4-chlorophenyl)-2-(3-methoxypiperidin-1-yl)acetamide
CID 102956460
2-[3-(2-aminoethyl)piperidin-1-yl]-N-(4-chloro-2-methylphenyl)acetamide;hydrochloride
CID 120728146
ethyl 1-[2-(2-chloroanilino)-2-oxoethyl]piperidine-3-carboxylate
CID 51170832
N-(2-chlorophenyl)-2-[3-(methylamino)piperidin-1-yl]acetamide
CID 62546007
1-[2-(4-amino-2-chloroanilino)-2-oxoethyl]piperidine-3-carboxamide
CID 43082326
2-(3-aminopiperidin-1-yl)-N-(2,5-dichlorophenyl)acetamide
CID 61298143
N-[3-chloro-4-[[2-[(3R)-3-methylpiperidin-1-yl]acetyl]amino]phenyl]propanamide
CID 858222
N-(2-amino-5-chlorophenyl)-2-[3-(methoxymethyl)piperidin-1-yl]acetamide
CID 106586022
methyl 4-[2-(2,4-dichloroanilino)-2-oxoethyl]piperazine-1-carboxylate
CID 78900235

Frequently Asked Questions

What is the IUPAC name of ethyl N-[1-[2-(2,4-dichloroanilino)-2-oxoethyl]piperidin-3-yl]carbamate?
The IUPAC name of ethyl N-[1-[2-(2,4-dichloroanilino)-2-oxoethyl]piperidin-3-yl]carbamate (CID 78900590) is ethyl N-[1-[2-(2,4-dichloroanilino)-2-oxoethyl]piperidin-3-yl]carbamate.
What is the SMILES notation for ethyl N-[1-[2-(2,4-dichloroanilino)-2-oxoethyl]piperidin-3-yl]carbamate?
The canonical SMILES for ethyl N-[1-[2-(2,4-dichloroanilino)-2-oxoethyl]piperidin-3-yl]carbamate is CCOC(=O)NC1CCCN(CC(=O)Nc2ccc(Cl)cc2Cl)C1.
What is the InChIKey of ethyl N-[1-[2-(2,4-dichloroanilino)-2-oxoethyl]piperidin-3-yl]carbamate?
The InChIKey is OSKQBEGPGZPVDG-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H21Cl2N3O3/c1-2-24-16(23)19-12-4-3-7-21(9-12)10-15(22)20-14-6-5-11(17)8-13(14)18/h5-6,8,12H,2-4,7,9-10H2,1H3,(H,19,23)(H,20,22).
What are the key properties of ethyl N-[1-[2-(2,4-dichloroanilino)-2-oxoethyl]piperidin-3-yl]carbamate?
ethyl N-[1-[2-(2,4-dichloroanilino)-2-oxoethyl]piperidin-3-yl]carbamate has a molecular weight of 374.27 g/mol, XLogP of 3.14, 5 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for ethyl N-[1-[2-(2,4-dichloroanilino)-2-oxoethyl]piperidin-3-yl]carbamate is sourced from PubChem (CID 78900590), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).