N-(2-hydroxy-2-phenylethyl)-5-oxopiperazine-2-carboxamide

C13H17N3O3 — CID 74876403

IUPACN-(2-hydroxy-2-phenylethyl)-5-oxopiperazine-2-carboxamide
SMILESO=C1CNC(C(=O)NCC(O)c2ccccc2)CN1
InChIInChI=1S/C13H17N3O3/c17-11(9-4-2-1-3-5-9)7-16-13(19)10-6-15-12(18)8-14-10/h1-5,10-11,14,17H,6-8H2,(H,15,18)(H,16,19)
InChIKeyCIHVZFDURFPRAG-UHFFFAOYSA-N
MW263.30 g/mol
LogP-1.08
Rot. Bonds4

About N-(2-hydroxy-2-phenylethyl)-5-oxopiperazine-2-carboxamide

N-(2-hydroxy-2-phenylethyl)-5-oxopiperazine-2-carboxamide (PubChem CID 74876403) has the molecular formula C13H17N3O3 and a molecular weight of 263.30 g/mol. Its IUPAC name is N-(2-hydroxy-2-phenylethyl)-5-oxopiperazine-2-carboxamide.

Molecular Properties

Compound NameN-(2-hydroxy-2-phenylethyl)-5-oxopiperazine-2-carboxamide
PubChem CID74876403
Molecular FormulaC13H17N3O3
Molecular Weight263.30 g/mol
Exact Mass263.13
IUPAC NameN-(2-hydroxy-2-phenylethyl)-5-oxopiperazine-2-carboxamide
SMILESO=C1CNC(C(=O)NCC(O)c2ccccc2)CN1
InChIInChI=1S/C13H17N3O3/c17-11(9-4-2-1-3-5-9)7-16-13(19)10-6-15-12(18)8-14-10/h1-5,10-11,14,17H,6-8H2,(H,15,18)(H,16,19)
InChIKeyCIHVZFDURFPRAG-UHFFFAOYSA-N
XLogP-1.08
TPSA90.46 Ų
H-Bond Donors4
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500263.30
LogP ≤ 5-1.08
H-Bond Donors ≤ 54
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of N-(2-hydroxy-2-phenylethyl)-5-oxopiperazine-2-carboxamide?
The IUPAC name of N-(2-hydroxy-2-phenylethyl)-5-oxopiperazine-2-carboxamide (CID 74876403) is N-(2-hydroxy-2-phenylethyl)-5-oxopiperazine-2-carboxamide.
What is the SMILES notation for N-(2-hydroxy-2-phenylethyl)-5-oxopiperazine-2-carboxamide?
The canonical SMILES for N-(2-hydroxy-2-phenylethyl)-5-oxopiperazine-2-carboxamide is O=C1CNC(C(=O)NCC(O)c2ccccc2)CN1.
What is the InChIKey of N-(2-hydroxy-2-phenylethyl)-5-oxopiperazine-2-carboxamide?
The InChIKey is CIHVZFDURFPRAG-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H17N3O3/c17-11(9-4-2-1-3-5-9)7-16-13(19)10-6-15-12(18)8-14-10/h1-5,10-11,14,17H,6-8H2,(H,15,18)(H,16,19).
What are the key properties of N-(2-hydroxy-2-phenylethyl)-5-oxopiperazine-2-carboxamide?
N-(2-hydroxy-2-phenylethyl)-5-oxopiperazine-2-carboxamide has a molecular weight of 263.30 g/mol, XLogP of -1.08, 4 rotatable bonds, 4 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-(2-hydroxy-2-phenylethyl)-5-oxopiperazine-2-carboxamide is sourced from PubChem (CID 74876403), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).