N-(6-hydroxyhexyl)-5-oxopiperazine-2-carboxamide

C11H21N3O3 — CID 107842610

IUPACN-(6-hydroxyhexyl)-5-oxopiperazine-2-carboxamide
SMILESO=C1CNC(C(=O)NCCCCCCO)CN1
InChIInChI=1S/C11H21N3O3/c15-6-4-2-1-3-5-12-11(17)9-7-14-10(16)8-13-9/h9,13,15H,1-8H2,(H,12,17)(H,14,16)
InChIKeyYVQYJGJKOGLDKW-UHFFFAOYSA-N
MW243.31 g/mol
LogP-1.26
Rot. Bonds7

About N-(6-hydroxyhexyl)-5-oxopiperazine-2-carboxamide

N-(6-hydroxyhexyl)-5-oxopiperazine-2-carboxamide (PubChem CID 107842610) has the molecular formula C11H21N3O3 and a molecular weight of 243.31 g/mol. Its IUPAC name is N-(6-hydroxyhexyl)-5-oxopiperazine-2-carboxamide.

Molecular Properties

Compound NameN-(6-hydroxyhexyl)-5-oxopiperazine-2-carboxamide
PubChem CID107842610
Molecular FormulaC11H21N3O3
Molecular Weight243.31 g/mol
Exact Mass243.16
IUPAC NameN-(6-hydroxyhexyl)-5-oxopiperazine-2-carboxamide
SMILESO=C1CNC(C(=O)NCCCCCCO)CN1
InChIInChI=1S/C11H21N3O3/c15-6-4-2-1-3-5-12-11(17)9-7-14-10(16)8-13-9/h9,13,15H,1-8H2,(H,12,17)(H,14,16)
InChIKeyYVQYJGJKOGLDKW-UHFFFAOYSA-N
XLogP-1.26
TPSA90.46 Ų
H-Bond Donors4
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500243.31
LogP ≤ 5-1.26
H-Bond Donors ≤ 54
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Related Compounds

(2S)-2-[(2-aminoacetyl)amino]-N-[(2S)-6-amino-1-hydroxyhexan-2-yl]propanamide
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N'-(6-hydroxyhexyl)oxamide
CID 19845145
2-[ethyl(piperidin-4-yl)amino]-N,N-bis(1-hydroxypropyl)acetamide
CID 19962018
2-amino-N-(6-hydroxyhexyl)acetamide
CID 20261877
N-(4-hydroxycyclohexyl)-2-piperazin-1-ylacetamide
CID 29009033
2-Amino-1-[2-(hydroxymethyl)piperidin-1-yl]ethanone
CID 43579307
3-Amino-1-[2-(hydroxymethyl)piperidin-1-yl]propan-1-one
CID 43579314
N~1~,N~2~-Bis(6-hydroxyhexyl)ethanediamide
CID 57229246
1-(4-Hydroxycyclohexyl)piperazin-2-one
CID 67084849
4-(4-Hydroxycyclohexyl)-2-piperazinone
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(2S)-2-(6-hydroxyhexylamino)butanediamide
CID 87496700

Frequently Asked Questions

What is the IUPAC name of N-(6-hydroxyhexyl)-5-oxopiperazine-2-carboxamide?
The IUPAC name of N-(6-hydroxyhexyl)-5-oxopiperazine-2-carboxamide (CID 107842610) is N-(6-hydroxyhexyl)-5-oxopiperazine-2-carboxamide.
What is the SMILES notation for N-(6-hydroxyhexyl)-5-oxopiperazine-2-carboxamide?
The canonical SMILES for N-(6-hydroxyhexyl)-5-oxopiperazine-2-carboxamide is O=C1CNC(C(=O)NCCCCCCO)CN1.
What is the InChIKey of N-(6-hydroxyhexyl)-5-oxopiperazine-2-carboxamide?
The InChIKey is YVQYJGJKOGLDKW-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H21N3O3/c15-6-4-2-1-3-5-12-11(17)9-7-14-10(16)8-13-9/h9,13,15H,1-8H2,(H,12,17)(H,14,16).
What are the key properties of N-(6-hydroxyhexyl)-5-oxopiperazine-2-carboxamide?
N-(6-hydroxyhexyl)-5-oxopiperazine-2-carboxamide has a molecular weight of 243.31 g/mol, XLogP of -1.26, 7 rotatable bonds, 4 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-(6-hydroxyhexyl)-5-oxopiperazine-2-carboxamide is sourced from PubChem (CID 107842610), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).