ethyl 1-[2-(6-amino-2,4-dioxo-1-propylpyrimidin-5-yl)-2-oxoethyl]piperidine-4-carboxylate

C17H26N4O5 — CID 4851000

IUPACethyl 1-[2-(6-amino-2,4-dioxo-1-propylpyrimidin-5-yl)-2-oxoethyl]piperidine-4-carboxylate
SMILESCCCn1c(N)c(C(=O)CN2CCC(C(=O)OCC)CC2)c(=O)[nH]c1=O
InChIInChI=1S/C17H26N4O5/c1-3-7-21-14(18)13(15(23)19-17(21)25)12(22)10-20-8-5-11(6-9-20)16(24)26-4-2/h11H,3-10,18H2,1-2H3,(H,19,23,25)
InChIKeyOOYOYILUODPLJW-UHFFFAOYSA-N
MW366.42 g/mol
LogP-0.01
Rot. Bonds7

About ethyl 1-[2-(6-amino-2,4-dioxo-1-propylpyrimidin-5-yl)-2-oxoethyl]piperidine-4-carboxylate

ethyl 1-[2-(6-amino-2,4-dioxo-1-propylpyrimidin-5-yl)-2-oxoethyl]piperidine-4-carboxylate (PubChem CID 4851000) has the molecular formula C17H26N4O5 and a molecular weight of 366.42 g/mol. Its IUPAC name is ethyl 1-[2-(6-amino-2,4-dioxo-1-propylpyrimidin-5-yl)-2-oxoethyl]piperidine-4-carboxylate.

Molecular Properties

Compound Nameethyl 1-[2-(6-amino-2,4-dioxo-1-propylpyrimidin-5-yl)-2-oxoethyl]piperidine-4-carboxylate
PubChem CID4851000
Molecular FormulaC17H26N4O5
Molecular Weight366.42 g/mol
Exact Mass366.19
IUPAC Nameethyl 1-[2-(6-amino-2,4-dioxo-1-propylpyrimidin-5-yl)-2-oxoethyl]piperidine-4-carboxylate
SMILESCCCn1c(N)c(C(=O)CN2CCC(C(=O)OCC)CC2)c(=O)[nH]c1=O
InChIInChI=1S/C17H26N4O5/c1-3-7-21-14(18)13(15(23)19-17(21)25)12(22)10-20-8-5-11(6-9-20)16(24)26-4-2/h11H,3-10,18H2,1-2H3,(H,19,23,25)
InChIKeyOOYOYILUODPLJW-UHFFFAOYSA-N
XLogP-0.01
TPSA127.49 Ų
H-Bond Donors2
H-Bond Acceptors8
Rotatable Bonds7
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500366.42
LogP ≤ 5-0.01
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 108

Analyze ethyl 1-[2-(6-amino-2,4-dioxo-1-propylpyrimidin-5-yl)-2-oxoethyl]piperidine-4-carboxylate with MolForge

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Related Compounds

5-[2-[(4aR,8aS)-3,4,4a,5,6,7,8,8a-octahydro-2H-quinolin-1-yl]acetyl]-6-amino-1-propylpyrimidine-2,4-dione
CID 11931412
6-amino-5-[2-[4-(1,3-dioxolan-2-yl)piperidin-1-yl]acetyl]-1-(2-methoxyethyl)pyrimidine-2,4-dione
CID 56526778
6-amino-5-[2-[4-[(2,6-dimethylmorpholin-4-yl)methyl]piperidin-1-yl]acetyl]-1-(2-methoxyethyl)pyrimidine-2,4-dione
CID 56526911
6-amino-5-[2-[(2S,5S)-2,5-dimethylmorpholin-4-yl]acetyl]-1-propylpyrimidine-2,4-dione
CID 35024214
6-amino-1-(2-methoxyethyl)-5-[2-(3-methylpiperidin-1-yl)acetyl]pyrimidine-2,4-dione
CID 24564922
[2-(6-amino-2,4-dioxo-1-propylpyrimidin-5-yl)-2-oxoethyl] 2-[(1R,2S,4S)-2-bicyclo[2.2.1]heptanyl]acetate
CID 11916769
6-amino-3-methyl-1-propyl-5-(2-pyrrolidin-1-ylacetyl)pyrimidine-2,4-dione
CID 8901624
6-amino-5-[2-(azocan-1-yl)acetyl]-3-methyl-1-propylpyrimidine-2,4-dione
CID 2682315
ethyl 1-[(3-butyl-7-methyl-2,6-dioxopurin-8-yl)methyl]piperidine-4-carboxylate
CID 47011027
6-amino-5-[2-(2-azaspiro[4.5]decan-2-yl)acetyl]-1-(2-methoxyethyl)pyrimidine-2,4-dione
CID 75512216
[2-(6-amino-2,4-dioxo-1-propylpyrimidin-5-yl)-2-oxoethyl] 2-phenoxyacetate
CID 7697349
ethyl 1-ethylpiperidine-4-carboxylate
CID 11106043

Frequently Asked Questions

What is the IUPAC name of ethyl 1-[2-(6-amino-2,4-dioxo-1-propylpyrimidin-5-yl)-2-oxoethyl]piperidine-4-carboxylate?
The IUPAC name of ethyl 1-[2-(6-amino-2,4-dioxo-1-propylpyrimidin-5-yl)-2-oxoethyl]piperidine-4-carboxylate (CID 4851000) is ethyl 1-[2-(6-amino-2,4-dioxo-1-propylpyrimidin-5-yl)-2-oxoethyl]piperidine-4-carboxylate.
What is the SMILES notation for ethyl 1-[2-(6-amino-2,4-dioxo-1-propylpyrimidin-5-yl)-2-oxoethyl]piperidine-4-carboxylate?
The canonical SMILES for ethyl 1-[2-(6-amino-2,4-dioxo-1-propylpyrimidin-5-yl)-2-oxoethyl]piperidine-4-carboxylate is CCCn1c(N)c(C(=O)CN2CCC(C(=O)OCC)CC2)c(=O)[nH]c1=O.
What is the InChIKey of ethyl 1-[2-(6-amino-2,4-dioxo-1-propylpyrimidin-5-yl)-2-oxoethyl]piperidine-4-carboxylate?
The InChIKey is OOYOYILUODPLJW-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H26N4O5/c1-3-7-21-14(18)13(15(23)19-17(21)25)12(22)10-20-8-5-11(6-9-20)16(24)26-4-2/h11H,3-10,18H2,1-2H3,(H,19,23,25).
What are the key properties of ethyl 1-[2-(6-amino-2,4-dioxo-1-propylpyrimidin-5-yl)-2-oxoethyl]piperidine-4-carboxylate?
ethyl 1-[2-(6-amino-2,4-dioxo-1-propylpyrimidin-5-yl)-2-oxoethyl]piperidine-4-carboxylate has a molecular weight of 366.42 g/mol, XLogP of -0.01, 7 rotatable bonds, 2 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for ethyl 1-[2-(6-amino-2,4-dioxo-1-propylpyrimidin-5-yl)-2-oxoethyl]piperidine-4-carboxylate is sourced from PubChem (CID 4851000), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).