methyl 1-[2-(3-ethyl-2,4-dioxopyrimidin-1-yl)ethyl]-4-(N-propanoylanilino)piperidine-4-carboxylate

C24H32N4O5 — CID 14879904

IUPACmethyl 1-[2-(3-ethyl-2,4-dioxopyrimidin-1-yl)ethyl]-4-(N-propanoylanilino)piperidine-4-carboxylate
SMILESCCC(=O)N(c1ccccc1)C1(C(=O)OC)CCN(CCn2ccc(=O)n(CC)c2=O)CC1
InChIInChI=1S/C24H32N4O5/c1-4-20(29)28(19-9-7-6-8-10-19)24(22(31)33-3)12-15-25(16-13-24)17-18-26-14-11-21(30)27(5-2)23(26)32/h6-11,14H,4-5,12-13,15-18H2,1-3H3
InChIKeyZOWNWWSAMIXVRF-UHFFFAOYSA-N
MW456.54 g/mol
LogP1.48
Rot. Bonds8

About methyl 1-[2-(3-ethyl-2,4-dioxopyrimidin-1-yl)ethyl]-4-(N-propanoylanilino)piperidine-4-carboxylate

methyl 1-[2-(3-ethyl-2,4-dioxopyrimidin-1-yl)ethyl]-4-(N-propanoylanilino)piperidine-4-carboxylate (PubChem CID 14879904) has the molecular formula C24H32N4O5 and a molecular weight of 456.54 g/mol. Its IUPAC name is methyl 1-[2-(3-ethyl-2,4-dioxopyrimidin-1-yl)ethyl]-4-(N-propanoylanilino)piperidine-4-carboxylate.

Molecular Properties

Compound Namemethyl 1-[2-(3-ethyl-2,4-dioxopyrimidin-1-yl)ethyl]-4-(N-propanoylanilino)piperidine-4-carboxylate
PubChem CID14879904
Molecular FormulaC24H32N4O5
Molecular Weight456.54 g/mol
Exact Mass456.24
IUPAC Namemethyl 1-[2-(3-ethyl-2,4-dioxopyrimidin-1-yl)ethyl]-4-(N-propanoylanilino)piperidine-4-carboxylate
SMILESCCC(=O)N(c1ccccc1)C1(C(=O)OC)CCN(CCn2ccc(=O)n(CC)c2=O)CC1
InChIInChI=1S/C24H32N4O5/c1-4-20(29)28(19-9-7-6-8-10-19)24(22(31)33-3)12-15-25(16-13-24)17-18-26-14-11-21(30)27(5-2)23(26)32/h6-11,14H,4-5,12-13,15-18H2,1-3H3
InChIKeyZOWNWWSAMIXVRF-UHFFFAOYSA-N
XLogP1.48
TPSA93.85 Ų
H-Bond Donors
H-Bond Acceptors8
Rotatable Bonds8
Heavy Atoms33
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500456.54
LogP ≤ 51.48
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 108

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Frequently Asked Questions

What is the IUPAC name of methyl 1-[2-(3-ethyl-2,4-dioxopyrimidin-1-yl)ethyl]-4-(N-propanoylanilino)piperidine-4-carboxylate?
The IUPAC name of methyl 1-[2-(3-ethyl-2,4-dioxopyrimidin-1-yl)ethyl]-4-(N-propanoylanilino)piperidine-4-carboxylate (CID 14879904) is methyl 1-[2-(3-ethyl-2,4-dioxopyrimidin-1-yl)ethyl]-4-(N-propanoylanilino)piperidine-4-carboxylate.
What is the SMILES notation for methyl 1-[2-(3-ethyl-2,4-dioxopyrimidin-1-yl)ethyl]-4-(N-propanoylanilino)piperidine-4-carboxylate?
The canonical SMILES for methyl 1-[2-(3-ethyl-2,4-dioxopyrimidin-1-yl)ethyl]-4-(N-propanoylanilino)piperidine-4-carboxylate is CCC(=O)N(c1ccccc1)C1(C(=O)OC)CCN(CCn2ccc(=O)n(CC)c2=O)CC1.
What is the InChIKey of methyl 1-[2-(3-ethyl-2,4-dioxopyrimidin-1-yl)ethyl]-4-(N-propanoylanilino)piperidine-4-carboxylate?
The InChIKey is ZOWNWWSAMIXVRF-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H32N4O5/c1-4-20(29)28(19-9-7-6-8-10-19)24(22(31)33-3)12-15-25(16-13-24)17-18-26-14-11-21(30)27(5-2)23(26)32/h6-11,14H,4-5,12-13,15-18H2,1-3H3.
What are the key properties of methyl 1-[2-(3-ethyl-2,4-dioxopyrimidin-1-yl)ethyl]-4-(N-propanoylanilino)piperidine-4-carboxylate?
methyl 1-[2-(3-ethyl-2,4-dioxopyrimidin-1-yl)ethyl]-4-(N-propanoylanilino)piperidine-4-carboxylate has a molecular weight of 456.54 g/mol, XLogP of 1.48, 8 rotatable bonds, 0 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for methyl 1-[2-(3-ethyl-2,4-dioxopyrimidin-1-yl)ethyl]-4-(N-propanoylanilino)piperidine-4-carboxylate is sourced from PubChem (CID 14879904), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).