[2-oxo-2-[4-(phenylcarbamoyl)piperazin-1-yl]ethyl] 3,6-dimethyl-4-oxofuro[2,3-d]pyrimidine-5-carboxylate

C22H23N5O6 — CID 24522998

IUPAC[2-oxo-2-[4-(phenylcarbamoyl)piperazin-1-yl]ethyl] 3,6-dimethyl-4-oxofuro[2,3-d]pyrimidine-5-carboxylate
SMILESCc1oc2ncn(C)c(=O)c2c1C(=O)OCC(=O)N1CCN(C(=O)Nc2ccccc2)CC1
InChIInChI=1S/C22H23N5O6/c1-14-17(18-19(33-14)23-13-25(2)20(18)29)21(30)32-12-16(28)26-8-10-27(11-9-26)22(31)24-15-6-4-3-5-7-15/h3-7,13H,8-12H2,1-2H3,(H,24,31)
InChIKeyIZUPAPGBSKSSGW-UHFFFAOYSA-N
MW453.46 g/mol
LogP1.37
Rot. Bonds4

About [2-oxo-2-[4-(phenylcarbamoyl)piperazin-1-yl]ethyl] 3,6-dimethyl-4-oxofuro[2,3-d]pyrimidine-5-carboxylate

[2-oxo-2-[4-(phenylcarbamoyl)piperazin-1-yl]ethyl] 3,6-dimethyl-4-oxofuro[2,3-d]pyrimidine-5-carboxylate (PubChem CID 24522998) has the molecular formula C22H23N5O6 and a molecular weight of 453.46 g/mol. Its IUPAC name is [2-oxo-2-[4-(phenylcarbamoyl)piperazin-1-yl]ethyl] 3,6-dimethyl-4-oxofuro[2,3-d]pyrimidine-5-carboxylate.

Molecular Properties

Compound Name[2-oxo-2-[4-(phenylcarbamoyl)piperazin-1-yl]ethyl] 3,6-dimethyl-4-oxofuro[2,3-d]pyrimidine-5-carboxylate
PubChem CID24522998
Molecular FormulaC22H23N5O6
Molecular Weight453.46 g/mol
Exact Mass453.16
IUPAC Name[2-oxo-2-[4-(phenylcarbamoyl)piperazin-1-yl]ethyl] 3,6-dimethyl-4-oxofuro[2,3-d]pyrimidine-5-carboxylate
SMILESCc1oc2ncn(C)c(=O)c2c1C(=O)OCC(=O)N1CCN(C(=O)Nc2ccccc2)CC1
InChIInChI=1S/C22H23N5O6/c1-14-17(18-19(33-14)23-13-25(2)20(18)29)21(30)32-12-16(28)26-8-10-27(11-9-26)22(31)24-15-6-4-3-5-7-15/h3-7,13H,8-12H2,1-2H3,(H,24,31)
InChIKeyIZUPAPGBSKSSGW-UHFFFAOYSA-N
XLogP1.37
TPSA126.98 Ų
H-Bond Donors1
H-Bond Acceptors8
Rotatable Bonds4
Heavy Atoms33
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500453.46
LogP ≤ 51.37
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 108

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Frequently Asked Questions

What is the IUPAC name of [2-oxo-2-[4-(phenylcarbamoyl)piperazin-1-yl]ethyl] 3,6-dimethyl-4-oxofuro[2,3-d]pyrimidine-5-carboxylate?
The IUPAC name of [2-oxo-2-[4-(phenylcarbamoyl)piperazin-1-yl]ethyl] 3,6-dimethyl-4-oxofuro[2,3-d]pyrimidine-5-carboxylate (CID 24522998) is [2-oxo-2-[4-(phenylcarbamoyl)piperazin-1-yl]ethyl] 3,6-dimethyl-4-oxofuro[2,3-d]pyrimidine-5-carboxylate.
What is the SMILES notation for [2-oxo-2-[4-(phenylcarbamoyl)piperazin-1-yl]ethyl] 3,6-dimethyl-4-oxofuro[2,3-d]pyrimidine-5-carboxylate?
The canonical SMILES for [2-oxo-2-[4-(phenylcarbamoyl)piperazin-1-yl]ethyl] 3,6-dimethyl-4-oxofuro[2,3-d]pyrimidine-5-carboxylate is Cc1oc2ncn(C)c(=O)c2c1C(=O)OCC(=O)N1CCN(C(=O)Nc2ccccc2)CC1.
What is the InChIKey of [2-oxo-2-[4-(phenylcarbamoyl)piperazin-1-yl]ethyl] 3,6-dimethyl-4-oxofuro[2,3-d]pyrimidine-5-carboxylate?
The InChIKey is IZUPAPGBSKSSGW-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H23N5O6/c1-14-17(18-19(33-14)23-13-25(2)20(18)29)21(30)32-12-16(28)26-8-10-27(11-9-26)22(31)24-15-6-4-3-5-7-15/h3-7,13H,8-12H2,1-2H3,(H,24,31).
What are the key properties of [2-oxo-2-[4-(phenylcarbamoyl)piperazin-1-yl]ethyl] 3,6-dimethyl-4-oxofuro[2,3-d]pyrimidine-5-carboxylate?
[2-oxo-2-[4-(phenylcarbamoyl)piperazin-1-yl]ethyl] 3,6-dimethyl-4-oxofuro[2,3-d]pyrimidine-5-carboxylate has a molecular weight of 453.46 g/mol, XLogP of 1.37, 4 rotatable bonds, 1 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for [2-oxo-2-[4-(phenylcarbamoyl)piperazin-1-yl]ethyl] 3,6-dimethyl-4-oxofuro[2,3-d]pyrimidine-5-carboxylate is sourced from PubChem (CID 24522998), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).