ethyl (3R)-1-[2-[[(1S)-1-(2,4-dichlorophenyl)ethyl]amino]-2-oxoethyl]piperidine-3-carboxylate

C18H24Cl2N2O3 — CID 8532308

IUPACethyl (3R)-1-[2-[[(1S)-1-(2,4-dichlorophenyl)ethyl]amino]-2-oxoethyl]piperidine-3-carboxylate
SMILESCCOC(=O)[C@@H]1CCCN(CC(=O)N[C@@H](C)c2ccc(Cl)cc2Cl)C1
InChIInChI=1S/C18H24Cl2N2O3/c1-3-25-18(24)13-5-4-8-22(10-13)11-17(23)21-12(2)15-7-6-14(19)9-16(15)20/h6-7,9,12-13H,3-5,8,10-11H2,1-2H3,(H,21,23)/t12-,13+/m0/s1
InChIKeyFHXTXHXFERHRGD-QWHCGFSZSA-N
MW387.31 g/mol
LogP3.45
Rot. Bonds6

About ethyl (3R)-1-[2-[[(1S)-1-(2,4-dichlorophenyl)ethyl]amino]-2-oxoethyl]piperidine-3-carboxylate

ethyl (3R)-1-[2-[[(1S)-1-(2,4-dichlorophenyl)ethyl]amino]-2-oxoethyl]piperidine-3-carboxylate (PubChem CID 8532308) has the molecular formula C18H24Cl2N2O3 and a molecular weight of 387.31 g/mol. Its IUPAC name is ethyl (3R)-1-[2-[[(1S)-1-(2,4-dichlorophenyl)ethyl]amino]-2-oxoethyl]piperidine-3-carboxylate.

Molecular Properties

Compound Nameethyl (3R)-1-[2-[[(1S)-1-(2,4-dichlorophenyl)ethyl]amino]-2-oxoethyl]piperidine-3-carboxylate
PubChem CID8532308
Molecular FormulaC18H24Cl2N2O3
Molecular Weight387.31 g/mol
Exact Mass386.12
IUPAC Nameethyl (3R)-1-[2-[[(1S)-1-(2,4-dichlorophenyl)ethyl]amino]-2-oxoethyl]piperidine-3-carboxylate
SMILESCCOC(=O)[C@@H]1CCCN(CC(=O)N[C@@H](C)c2ccc(Cl)cc2Cl)C1
InChIInChI=1S/C18H24Cl2N2O3/c1-3-25-18(24)13-5-4-8-22(10-13)11-17(23)21-12(2)15-7-6-14(19)9-16(15)20/h6-7,9,12-13H,3-5,8,10-11H2,1-2H3,(H,21,23)/t12-,13+/m0/s1
InChIKeyFHXTXHXFERHRGD-QWHCGFSZSA-N
XLogP3.45
TPSA58.64 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500387.31
LogP ≤ 53.45
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Analyze ethyl (3R)-1-[2-[[(1S)-1-(2,4-dichlorophenyl)ethyl]amino]-2-oxoethyl]piperidine-3-carboxylate with MolForge

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Related Compounds

ethyl 1-[2-[1-(2,4-dichlorophenyl)ethylamino]-2-oxoethyl]piperidine-4-carboxylate
CID 51170749
N-[(1S)-1-(2,4-dichlorophenyl)ethyl]-2-piperidin-1-ylacetamide
CID 8894515
N-[(1R)-1-(2,4-dichlorophenyl)ethyl]-2-piperidin-1-ylacetamide
CID 8894518
ethyl 1-[2-[1-(3,4-dimethylphenyl)ethylamino]-2-oxoethyl]piperidine-3-carboxylate
CID 51170825
ethyl 1-[2-[1-(2-chlorophenyl)ethylamino]-2-oxoethyl]piperidine-4-carboxylate
CID 46800821
ethyl (3S)-1-[2-oxo-2-(pentan-2-ylamino)ethyl]piperidine-3-carboxylate
CID 81338447
ethyl (3R)-1-[2-[[(1S)-1-(1-benzofuran-2-yl)ethyl]amino]-2-oxoethyl]piperidine-3-carboxylate
CID 8561364
ethyl 1-[2-(2-chloroanilino)-2-oxoethyl]piperidine-3-carboxylate
CID 51170832
N-(2-aminoethyl)-1-[2-[1-(2-chlorophenyl)ethylamino]-2-oxoethyl]piperidine-3-carboxamide
CID 119916680
N-[1-(2,4-dichlorophenyl)ethyl]-2-(2-methylmorpholin-4-yl)acetamide
CID 46677677
ethyl 1-[2-[[(1R)-1-(3,4-dichlorophenyl)ethyl]amino]-2-oxoethyl]piperidine-4-carboxylate
CID 8931323
N-[(1S)-1-(2,4-dichlorophenyl)ethyl]-2-[(2R,6S)-2,6-dimethylmorpholin-4-yl]acetamide
CID 8899220

Frequently Asked Questions

What is the IUPAC name of ethyl (3R)-1-[2-[[(1S)-1-(2,4-dichlorophenyl)ethyl]amino]-2-oxoethyl]piperidine-3-carboxylate?
The IUPAC name of ethyl (3R)-1-[2-[[(1S)-1-(2,4-dichlorophenyl)ethyl]amino]-2-oxoethyl]piperidine-3-carboxylate (CID 8532308) is ethyl (3R)-1-[2-[[(1S)-1-(2,4-dichlorophenyl)ethyl]amino]-2-oxoethyl]piperidine-3-carboxylate.
What is the SMILES notation for ethyl (3R)-1-[2-[[(1S)-1-(2,4-dichlorophenyl)ethyl]amino]-2-oxoethyl]piperidine-3-carboxylate?
The canonical SMILES for ethyl (3R)-1-[2-[[(1S)-1-(2,4-dichlorophenyl)ethyl]amino]-2-oxoethyl]piperidine-3-carboxylate is CCOC(=O)[C@@H]1CCCN(CC(=O)N[C@@H](C)c2ccc(Cl)cc2Cl)C1.
What is the InChIKey of ethyl (3R)-1-[2-[[(1S)-1-(2,4-dichlorophenyl)ethyl]amino]-2-oxoethyl]piperidine-3-carboxylate?
The InChIKey is FHXTXHXFERHRGD-QWHCGFSZSA-N. The full InChI is InChI=1S/C18H24Cl2N2O3/c1-3-25-18(24)13-5-4-8-22(10-13)11-17(23)21-12(2)15-7-6-14(19)9-16(15)20/h6-7,9,12-13H,3-5,8,10-11H2,1-2H3,(H,21,23)/t12-,13+/m0/s1.
What are the key properties of ethyl (3R)-1-[2-[[(1S)-1-(2,4-dichlorophenyl)ethyl]amino]-2-oxoethyl]piperidine-3-carboxylate?
ethyl (3R)-1-[2-[[(1S)-1-(2,4-dichlorophenyl)ethyl]amino]-2-oxoethyl]piperidine-3-carboxylate has a molecular weight of 387.31 g/mol, XLogP of 3.45, 6 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for ethyl (3R)-1-[2-[[(1S)-1-(2,4-dichlorophenyl)ethyl]amino]-2-oxoethyl]piperidine-3-carboxylate is sourced from PubChem (CID 8532308), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).