ethyl 4-[[1-(3-chlorophenyl)-5-oxopyrrolidine-3-carbonyl]amino]piperidine-1-carboxylate

C19H24ClN3O4 — CID 55575078

IUPACethyl 4-[[1-(3-chlorophenyl)-5-oxopyrrolidine-3-carbonyl]amino]piperidine-1-carboxylate
SMILESCCOC(=O)N1CCC(NC(=O)C2CC(=O)N(c3cccc(Cl)c3)C2)CC1
InChIInChI=1S/C19H24ClN3O4/c1-2-27-19(26)22-8-6-15(7-9-22)21-18(25)13-10-17(24)23(12-13)16-5-3-4-14(20)11-16/h3-5,11,13,15H,2,6-10,12H2,1H3,(H,21,25)
InChIKeyWHACLGHJUQDSMP-UHFFFAOYSA-N
MW393.87 g/mol
LogP2.43
Rot. Bonds4

About ethyl 4-[[1-(3-chlorophenyl)-5-oxopyrrolidine-3-carbonyl]amino]piperidine-1-carboxylate

ethyl 4-[[1-(3-chlorophenyl)-5-oxopyrrolidine-3-carbonyl]amino]piperidine-1-carboxylate (PubChem CID 55575078) has the molecular formula C19H24ClN3O4 and a molecular weight of 393.87 g/mol. Its IUPAC name is ethyl 4-[[1-(3-chlorophenyl)-5-oxopyrrolidine-3-carbonyl]amino]piperidine-1-carboxylate.

Molecular Properties

Compound Nameethyl 4-[[1-(3-chlorophenyl)-5-oxopyrrolidine-3-carbonyl]amino]piperidine-1-carboxylate
PubChem CID55575078
Molecular FormulaC19H24ClN3O4
Molecular Weight393.87 g/mol
Exact Mass393.15
IUPAC Nameethyl 4-[[1-(3-chlorophenyl)-5-oxopyrrolidine-3-carbonyl]amino]piperidine-1-carboxylate
SMILESCCOC(=O)N1CCC(NC(=O)C2CC(=O)N(c3cccc(Cl)c3)C2)CC1
InChIInChI=1S/C19H24ClN3O4/c1-2-27-19(26)22-8-6-15(7-9-22)21-18(25)13-10-17(24)23(12-13)16-5-3-4-14(20)11-16/h3-5,11,13,15H,2,6-10,12H2,1H3,(H,21,25)
InChIKeyWHACLGHJUQDSMP-UHFFFAOYSA-N
XLogP2.43
TPSA78.95 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500393.87
LogP ≤ 52.43
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

ethyl 4-[[1-(3-methylphenyl)-5-oxopyrrolidine-3-carbonyl]amino]piperidine-1-carboxylate
CID 113185977
ethyl 4-[[1-(4-chlorophenyl)-5-oxopyrrolidine-3-carbonyl]amino]piperidine-1-carboxylate
CID 47051761
ethyl 4-[[1-(3,4-difluorophenyl)-5-oxopyrrolidine-3-carbonyl]amino]piperidine-1-carboxylate
CID 113192400
1-(3-chlorophenyl)-N-[1-(cyclopropanecarbonyl)piperidin-4-yl]-5-oxopyrrolidine-3-carboxamide
CID 42953107
(3R)-N-(1-benzylpiperidin-4-yl)-1-(3-chlorophenyl)-5-oxopyrrolidine-3-carboxamide
CID 39315004
ethyl 4-[[1-(2,5-dimethylphenyl)-5-oxopyrrolidine-3-carbonyl]amino]piperidine-1-carboxylate
CID 113186096
ethyl 4-[[1-(2-bromophenyl)-5-oxopyrrolidine-3-carbonyl]amino]piperidine-1-carboxylate
CID 46581539
(3R)-1-(3-ethylphenyl)-N-(1-ethylpiperidin-4-yl)-5-oxopyrrolidine-3-carboxamide
CID 30787471
ethyl 4-[[2-[4-(3-chlorophenyl)piperazin-1-yl]-2-oxoacetyl]amino]piperidine-1-carboxylate
CID 108531749
N-(1-cyclopropylpiperidin-4-yl)-1-(3-methoxyphenyl)-5-oxopyrrolidine-3-carboxamide
CID 46557750
ethyl 4-[(3-chlorophenyl)carbamoylamino]piperidine-1-carboxylate
CID 17423931
ethyl 4-[[(3R)-1-(3-methoxyphenyl)-5-oxopyrrolidin-3-yl]carbamoyl]piperazine-1-carboxylate
CID 7544005

Frequently Asked Questions

What is the IUPAC name of ethyl 4-[[1-(3-chlorophenyl)-5-oxopyrrolidine-3-carbonyl]amino]piperidine-1-carboxylate?
The IUPAC name of ethyl 4-[[1-(3-chlorophenyl)-5-oxopyrrolidine-3-carbonyl]amino]piperidine-1-carboxylate (CID 55575078) is ethyl 4-[[1-(3-chlorophenyl)-5-oxopyrrolidine-3-carbonyl]amino]piperidine-1-carboxylate.
What is the SMILES notation for ethyl 4-[[1-(3-chlorophenyl)-5-oxopyrrolidine-3-carbonyl]amino]piperidine-1-carboxylate?
The canonical SMILES for ethyl 4-[[1-(3-chlorophenyl)-5-oxopyrrolidine-3-carbonyl]amino]piperidine-1-carboxylate is CCOC(=O)N1CCC(NC(=O)C2CC(=O)N(c3cccc(Cl)c3)C2)CC1.
What is the InChIKey of ethyl 4-[[1-(3-chlorophenyl)-5-oxopyrrolidine-3-carbonyl]amino]piperidine-1-carboxylate?
The InChIKey is WHACLGHJUQDSMP-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H24ClN3O4/c1-2-27-19(26)22-8-6-15(7-9-22)21-18(25)13-10-17(24)23(12-13)16-5-3-4-14(20)11-16/h3-5,11,13,15H,2,6-10,12H2,1H3,(H,21,25).
What are the key properties of ethyl 4-[[1-(3-chlorophenyl)-5-oxopyrrolidine-3-carbonyl]amino]piperidine-1-carboxylate?
ethyl 4-[[1-(3-chlorophenyl)-5-oxopyrrolidine-3-carbonyl]amino]piperidine-1-carboxylate has a molecular weight of 393.87 g/mol, XLogP of 2.43, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for ethyl 4-[[1-(3-chlorophenyl)-5-oxopyrrolidine-3-carbonyl]amino]piperidine-1-carboxylate is sourced from PubChem (CID 55575078), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).