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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Related Compounds

N-[(2R)-2-hydroxypropyl]-5-oxopiperazine-2-carboxamide
CID 107437971
N-(3-methyl-1-phenylbutyl)-5-oxopiperazine-2-carboxamide
CID 107434402
(2S)-N-(2-hydroxy-2-phenylethyl)piperidine-2-carboxamide
CID 103807955
(2R)-N-(2-hydroxy-2-phenylethyl)piperidine-2-carboxamide;hydrochloride
CID 119676963
2-[2-[(5-oxopiperazine-2-carbonyl)amino]ethyl]benzoic acid
CID 77022994
N-[[2-[(dimethylamino)methyl]phenyl]methyl]-5-oxopiperazine-2-carboxamide
CID 107435917
N-(2-chloroprop-2-enyl)-5-oxopiperazine-2-carboxamide
CID 107437561
N-[2-(3-methylphenyl)ethyl]-5-oxopiperazine-2-carboxamide
CID 107436261
N-[[2-(methoxymethyl)phenyl]methyl]-5-oxopiperazine-2-carboxamide
CID 107434801
N-[(2S)-2-hydroxy-2-phenylethyl]cyclopentanecarboxamide
CID 93032915
N-(2-amino-2-oxoethyl)-5-oxopiperazine-2-carboxamide
CID 107433351
5-oxo-N-(2-pyrrol-1-ylethyl)piperazine-2-carboxamide
CID 106390933

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).