N-hexyl-N-(2-hydroxyethyl)-5-oxopiperazine-2-carboxamide

C13H25N3O3 — CID 107435333

IUPACN-hexyl-N-(2-hydroxyethyl)-5-oxopiperazine-2-carboxamide
SMILESCCCCCCN(CCO)C(=O)C1CNC(=O)CN1
InChIInChI=1S/C13H25N3O3/c1-2-3-4-5-6-16(7-8-17)13(19)11-9-15-12(18)10-14-11/h11,14,17H,2-10H2,1H3,(H,15,18)
InChIKeyFEJQITUNVKRXES-UHFFFAOYSA-N
MW271.36 g/mol
LogP-0.52
Rot. Bonds8

About N-hexyl-N-(2-hydroxyethyl)-5-oxopiperazine-2-carboxamide

N-hexyl-N-(2-hydroxyethyl)-5-oxopiperazine-2-carboxamide (PubChem CID 107435333) has the molecular formula C13H25N3O3 and a molecular weight of 271.36 g/mol. Its IUPAC name is N-hexyl-N-(2-hydroxyethyl)-5-oxopiperazine-2-carboxamide.

Molecular Properties

Compound NameN-hexyl-N-(2-hydroxyethyl)-5-oxopiperazine-2-carboxamide
PubChem CID107435333
Molecular FormulaC13H25N3O3
Molecular Weight271.36 g/mol
Exact Mass271.19
IUPAC NameN-hexyl-N-(2-hydroxyethyl)-5-oxopiperazine-2-carboxamide
SMILESCCCCCCN(CCO)C(=O)C1CNC(=O)CN1
InChIInChI=1S/C13H25N3O3/c1-2-3-4-5-6-16(7-8-17)13(19)11-9-15-12(18)10-14-11/h11,14,17H,2-10H2,1H3,(H,15,18)
InChIKeyFEJQITUNVKRXES-UHFFFAOYSA-N
XLogP-0.52
TPSA81.67 Ų
H-Bond Donors3
H-Bond Acceptors4
Rotatable Bonds8
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500271.36
LogP ≤ 5-0.52
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}

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Related Compounds

N-ethyl-N-(2-hydroxyethyl)-5-oxopiperazine-2-carboxamide
CID 107435117
5-oxo-N-prop-2-enyl-N-propylpiperazine-2-carboxamide
CID 107437361
N-hexyl-N-(2-hydroxyethyl)piperidine-2-carboxamide
CID 54873129
N-cyclopropyl-5-oxo-N-propylpiperazine-2-carboxamide
CID 107433788
N-hexyl-N-(2-hydroxyethyl)azepane-2-carboxamide
CID 64561900
5-oxo-N-propan-2-yl-N-propylpiperazine-2-carboxamide
CID 107433786
N-ethyl-N-methyl-5-oxopiperazine-2-carboxamide
CID 107433774
N-ethyl-N-(2-methylbutyl)-5-oxopiperazine-2-carboxamide
CID 107437031
(2S,5R)-2-N,2-N,5-N,5-N-tetrakis(2-hydroxyethyl)piperazine-2,5-dicarboxamide
CID 132520855
2-[2-methylpropyl-(5-oxopiperazine-2-carbonyl)amino]acetic acid
CID 107436420
N-(2-cyanopropyl)-N-ethyl-5-oxopiperazine-2-carboxamide
CID 107435329
N,N-bis(2-hydroxyethyl)-5-oxopyrrolidine-3-carboxamide
CID 83191607

Frequently Asked Questions

What is the IUPAC name of N-hexyl-N-(2-hydroxyethyl)-5-oxopiperazine-2-carboxamide?
The IUPAC name of N-hexyl-N-(2-hydroxyethyl)-5-oxopiperazine-2-carboxamide (CID 107435333) is N-hexyl-N-(2-hydroxyethyl)-5-oxopiperazine-2-carboxamide.
What is the SMILES notation for N-hexyl-N-(2-hydroxyethyl)-5-oxopiperazine-2-carboxamide?
The canonical SMILES for N-hexyl-N-(2-hydroxyethyl)-5-oxopiperazine-2-carboxamide is CCCCCCN(CCO)C(=O)C1CNC(=O)CN1.
What is the InChIKey of N-hexyl-N-(2-hydroxyethyl)-5-oxopiperazine-2-carboxamide?
The InChIKey is FEJQITUNVKRXES-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H25N3O3/c1-2-3-4-5-6-16(7-8-17)13(19)11-9-15-12(18)10-14-11/h11,14,17H,2-10H2,1H3,(H,15,18).
What are the key properties of N-hexyl-N-(2-hydroxyethyl)-5-oxopiperazine-2-carboxamide?
N-hexyl-N-(2-hydroxyethyl)-5-oxopiperazine-2-carboxamide has a molecular weight of 271.36 g/mol, XLogP of -0.52, 8 rotatable bonds, 3 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-hexyl-N-(2-hydroxyethyl)-5-oxopiperazine-2-carboxamide is sourced from PubChem (CID 107435333), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).