ethyl 1-[3-(2-chlorophenyl)-2,4-dioxo-1H-pyrimidin-6-yl]piperidine-3-carboxylate

C18H20ClN3O4 — CID 5310165

IUPACethyl 1-[3-(2-chlorophenyl)-2,4-dioxo-1H-pyrimidin-6-yl]piperidine-3-carboxylate
SMILESCCOC(=O)C1CCCN(c2cc(=O)n(-c3ccccc3Cl)c(=O)[nH]2)C1
InChIInChI=1S/C18H20ClN3O4/c1-2-26-17(24)12-6-5-9-21(11-12)15-10-16(23)22(18(25)20-15)14-8-4-3-7-13(14)19/h3-4,7-8,10,12H,2,5-6,9,11H2,1H3,(H,20,25)
InChIKeyVSBCTXNXWFVHHB-UHFFFAOYSA-N
MW377.83 g/mol
LogP1.96
Rot. Bonds4

About ethyl 1-[3-(2-chlorophenyl)-2,4-dioxo-1H-pyrimidin-6-yl]piperidine-3-carboxylate

ethyl 1-[3-(2-chlorophenyl)-2,4-dioxo-1H-pyrimidin-6-yl]piperidine-3-carboxylate (PubChem CID 5310165) has the molecular formula C18H20ClN3O4 and a molecular weight of 377.83 g/mol. Its IUPAC name is ethyl 1-[3-(2-chlorophenyl)-2,4-dioxo-1H-pyrimidin-6-yl]piperidine-3-carboxylate.

Molecular Properties

Compound Nameethyl 1-[3-(2-chlorophenyl)-2,4-dioxo-1H-pyrimidin-6-yl]piperidine-3-carboxylate
PubChem CID5310165
Molecular FormulaC18H20ClN3O4
Molecular Weight377.83 g/mol
Exact Mass377.11
IUPAC Nameethyl 1-[3-(2-chlorophenyl)-2,4-dioxo-1H-pyrimidin-6-yl]piperidine-3-carboxylate
SMILESCCOC(=O)C1CCCN(c2cc(=O)n(-c3ccccc3Cl)c(=O)[nH]2)C1
InChIInChI=1S/C18H20ClN3O4/c1-2-26-17(24)12-6-5-9-21(11-12)15-10-16(23)22(18(25)20-15)14-8-4-3-7-13(14)19/h3-4,7-8,10,12H,2,5-6,9,11H2,1H3,(H,20,25)
InChIKeyVSBCTXNXWFVHHB-UHFFFAOYSA-N
XLogP1.96
TPSA84.40 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds4
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500377.83
LogP ≤ 51.96
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

Analyze ethyl 1-[3-(2-chlorophenyl)-2,4-dioxo-1H-pyrimidin-6-yl]piperidine-3-carboxylate with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

Ethyl 1-((2-chlorophenyl)carbamoyl)piperidine-4-carboxylate
CID 713037
Ethyl 1-[(3-chlorophenyl)carbamoyl]piperidine-3-carboxylate
CID 2972598
Ethyl 1-[(3-chlorophenyl)carbamothioyl]piperidine-3-carboxylate
CID 4508006
ethyl 4-[3-(2-chlorophenyl)-2,4-dioxo-1H-pyrimidin-6-yl]piperazine-1-carboxylate
CID 5310566
Methyl 1-[1-(2-chlorophenyl)-2,6-dioxo-1,2,3,6-tetrahydropyrimidin-4-yl]piperidine-4-carboxylate
CID 3237018
ethyl 1-[3-(2-chlorophenyl)-2,4-dioxo-1H-pyrimidin-6-yl]piperidine-4-carboxylate
CID 3245559
3-(o-chlorophenyl)-6-(3,5-dimethyl-1-piperidyl)-2,4(1H,3H)-pyrimidinedione
CID 18553820
Ethyl 1-{[1-(4-chlorophenyl)-5-oxopyrrolidin-3-yl]carbamoyl}piperidine-3-carboxylate
CID 18564487
ethyl (3S)-1-[2-[3-(3-chlorophenyl)-2-oxoimidazolidin-1-yl]acetyl]piperidine-3-carboxylate
CID 52313840
ethyl (3R)-1-[(2S)-1-(2-chloro-4-fluoroanilino)-1-oxopropan-2-yl]piperidin-1-ium-3-carboxylate
CID 8531979
ethyl (3R)-1-[(2S)-1-(2-chloro-4-fluoroanilino)-1-oxopropan-2-yl]piperidine-3-carboxylate
CID 8531980
ethyl (3S)-1-[(2S)-1-(2-chloro-4-fluoroanilino)-1-oxopropan-2-yl]piperidin-1-ium-3-carboxylate
CID 8531983

Frequently Asked Questions

What is the IUPAC name of ethyl 1-[3-(2-chlorophenyl)-2,4-dioxo-1H-pyrimidin-6-yl]piperidine-3-carboxylate?
The IUPAC name of ethyl 1-[3-(2-chlorophenyl)-2,4-dioxo-1H-pyrimidin-6-yl]piperidine-3-carboxylate (CID 5310165) is ethyl 1-[3-(2-chlorophenyl)-2,4-dioxo-1H-pyrimidin-6-yl]piperidine-3-carboxylate.
What is the SMILES notation for ethyl 1-[3-(2-chlorophenyl)-2,4-dioxo-1H-pyrimidin-6-yl]piperidine-3-carboxylate?
The canonical SMILES for ethyl 1-[3-(2-chlorophenyl)-2,4-dioxo-1H-pyrimidin-6-yl]piperidine-3-carboxylate is CCOC(=O)C1CCCN(c2cc(=O)n(-c3ccccc3Cl)c(=O)[nH]2)C1.
What is the InChIKey of ethyl 1-[3-(2-chlorophenyl)-2,4-dioxo-1H-pyrimidin-6-yl]piperidine-3-carboxylate?
The InChIKey is VSBCTXNXWFVHHB-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H20ClN3O4/c1-2-26-17(24)12-6-5-9-21(11-12)15-10-16(23)22(18(25)20-15)14-8-4-3-7-13(14)19/h3-4,7-8,10,12H,2,5-6,9,11H2,1H3,(H,20,25).
What are the key properties of ethyl 1-[3-(2-chlorophenyl)-2,4-dioxo-1H-pyrimidin-6-yl]piperidine-3-carboxylate?
ethyl 1-[3-(2-chlorophenyl)-2,4-dioxo-1H-pyrimidin-6-yl]piperidine-3-carboxylate has a molecular weight of 377.83 g/mol, XLogP of 1.96, 4 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for ethyl 1-[3-(2-chlorophenyl)-2,4-dioxo-1H-pyrimidin-6-yl]piperidine-3-carboxylate is sourced from PubChem (CID 5310165), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).