N-octan-4-yl-2-oxo-2-piperazin-1-ylacetamide

C14H27N3O2 — CID 106029723

IUPACN-octan-4-yl-2-oxo-2-piperazin-1-ylacetamide
SMILESCCCCC(CCC)NC(=O)C(=O)N1CCNCC1
InChIInChI=1S/C14H27N3O2/c1-3-5-7-12(6-4-2)16-13(18)14(19)17-10-8-15-9-11-17/h12,15H,3-11H2,1-2H3,(H,16,18)
InChIKeyJTYIALJVWCBDSR-UHFFFAOYSA-N
MW269.39 g/mol
LogP0.89
Rot. Bonds6

About N-octan-4-yl-2-oxo-2-piperazin-1-ylacetamide

N-octan-4-yl-2-oxo-2-piperazin-1-ylacetamide (PubChem CID 106029723) has the molecular formula C14H27N3O2 and a molecular weight of 269.39 g/mol. Its IUPAC name is N-octan-4-yl-2-oxo-2-piperazin-1-ylacetamide.

Molecular Properties

Compound NameN-octan-4-yl-2-oxo-2-piperazin-1-ylacetamide
PubChem CID106029723
Molecular FormulaC14H27N3O2
Molecular Weight269.39 g/mol
Exact Mass269.21
IUPAC NameN-octan-4-yl-2-oxo-2-piperazin-1-ylacetamide
SMILESCCCCC(CCC)NC(=O)C(=O)N1CCNCC1
InChIInChI=1S/C14H27N3O2/c1-3-5-7-12(6-4-2)16-13(18)14(19)17-10-8-15-9-11-17/h12,15H,3-11H2,1-2H3,(H,16,18)
InChIKeyJTYIALJVWCBDSR-UHFFFAOYSA-N
XLogP0.89
TPSA61.44 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500269.39
LogP ≤ 50.89
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

2-(1,4-diazepan-1-yl)-N-hexan-3-yl-2-oxoacetamide
CID 55037919
N-butan-2-yl-2-(1,4-diazepan-1-yl)-2-oxoacetamide
CID 43145054
2-methyl-1-piperazin-1-ylhexan-1-one
CID 53216088
4-ethyl-N-octan-4-ylpiperidine-4-carboxamide
CID 106025848
N-(2-methylpropyl)-2-oxo-2-piperazin-1-ylacetamide
CID 28507132
2-(piperazine-1-carbonyl)hexanamide
CID 154250198
N-octan-4-ylpentanamide
CID 91803774
2-[[2-(1,4-diazepan-1-yl)-2-oxoacetyl]amino]-N-ethyl-N-methylpropanamide
CID 103112906
N-octan-4-yl-2-piperazin-1-ylethanesulfonamide
CID 106027308
(2S)-2-amino-1-piperazin-1-ylpentan-1-one
CID 93255588
(2S)-2-amino-1-(1,4-diazepan-1-yl)hexan-1-one
CID 93315595
(2R)-2-amino-N-octan-4-ylpentanamide
CID 103797903

Frequently Asked Questions

What is the IUPAC name of N-octan-4-yl-2-oxo-2-piperazin-1-ylacetamide?
The IUPAC name of N-octan-4-yl-2-oxo-2-piperazin-1-ylacetamide (CID 106029723) is N-octan-4-yl-2-oxo-2-piperazin-1-ylacetamide.
What is the SMILES notation for N-octan-4-yl-2-oxo-2-piperazin-1-ylacetamide?
The canonical SMILES for N-octan-4-yl-2-oxo-2-piperazin-1-ylacetamide is CCCCC(CCC)NC(=O)C(=O)N1CCNCC1.
What is the InChIKey of N-octan-4-yl-2-oxo-2-piperazin-1-ylacetamide?
The InChIKey is JTYIALJVWCBDSR-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H27N3O2/c1-3-5-7-12(6-4-2)16-13(18)14(19)17-10-8-15-9-11-17/h12,15H,3-11H2,1-2H3,(H,16,18).
What are the key properties of N-octan-4-yl-2-oxo-2-piperazin-1-ylacetamide?
N-octan-4-yl-2-oxo-2-piperazin-1-ylacetamide has a molecular weight of 269.39 g/mol, XLogP of 0.89, 6 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-octan-4-yl-2-oxo-2-piperazin-1-ylacetamide is sourced from PubChem (CID 106029723), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).