N-[2-oxo-2-(3-piperazin-1-ylpropylamino)ethyl]butanamide

C13H26N4O2 — CID 119393390

IUPACN-[2-oxo-2-(3-piperazin-1-ylpropylamino)ethyl]butanamide
SMILESCCCC(=O)NCC(=O)NCCCN1CCNCC1
InChIInChI=1S/C13H26N4O2/c1-2-4-12(18)16-11-13(19)15-5-3-8-17-9-6-14-7-10-17/h14H,2-11H2,1H3,(H,15,19)(H,16,18)
InChIKeyQQQNLIAQBTZLHD-UHFFFAOYSA-N
MW270.38 g/mol
LogP-0.69
Rot. Bonds8

About N-[2-oxo-2-(3-piperazin-1-ylpropylamino)ethyl]butanamide

N-[2-oxo-2-(3-piperazin-1-ylpropylamino)ethyl]butanamide (PubChem CID 119393390) has the molecular formula C13H26N4O2 and a molecular weight of 270.38 g/mol. Its IUPAC name is N-[2-oxo-2-(3-piperazin-1-ylpropylamino)ethyl]butanamide.

Molecular Properties

Compound NameN-[2-oxo-2-(3-piperazin-1-ylpropylamino)ethyl]butanamide
PubChem CID119393390
Molecular FormulaC13H26N4O2
Molecular Weight270.38 g/mol
Exact Mass270.21
IUPAC NameN-[2-oxo-2-(3-piperazin-1-ylpropylamino)ethyl]butanamide
SMILESCCCC(=O)NCC(=O)NCCCN1CCNCC1
InChIInChI=1S/C13H26N4O2/c1-2-4-12(18)16-11-13(19)15-5-3-8-17-9-6-14-7-10-17/h14H,2-11H2,1H3,(H,15,19)(H,16,18)
InChIKeyQQQNLIAQBTZLHD-UHFFFAOYSA-N
XLogP-0.69
TPSA73.47 Ų
H-Bond Donors3
H-Bond Acceptors4
Rotatable Bonds8
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500270.38
LogP ≤ 5-0.69
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-(3-pyrrolidin-1-ylpropyl)butanamide
CID 60668593
5,5-dimethyl-N-(3-piperazin-1-ylpropyl)hexanamide
CID 119394555
N-(3-piperazin-1-ylpropyl)-2-propylsulfanylacetamide
CID 119392220
2,2-dimethyl-N-[3-oxo-3-(3-piperazin-1-ylpropylamino)propyl]propanamide
CID 119391257
N-(3-morpholin-4-ylpropyl)butanamide
CID 4162480
N-(3-piperazin-1-ylpropyl)pent-4-enamide
CID 62679296
3-methyl-N-[3-oxo-3-(3-piperazin-1-ylpropylamino)propyl]butanamide;hydrochloride
CID 119390933
2-cyclohexyl-N-[2-oxo-2-(3-piperazin-1-ylpropylamino)ethyl]acetamide;hydrochloride
CID 119391449
N-[2-(butylamino)-2-oxoethyl]butanamide
CID 112990615
2-acetamido-N-(2-piperazin-1-ylethyl)acetamide
CID 43600274
2-pentylsulfonyl-N-(3-piperazin-1-ylpropyl)acetamide
CID 119391501
3,3-dimethyl-N-(3-piperazin-1-ylpropyl)butanamide;hydrochloride
CID 119391133

Frequently Asked Questions

What is the IUPAC name of N-[2-oxo-2-(3-piperazin-1-ylpropylamino)ethyl]butanamide?
The IUPAC name of N-[2-oxo-2-(3-piperazin-1-ylpropylamino)ethyl]butanamide (CID 119393390) is N-[2-oxo-2-(3-piperazin-1-ylpropylamino)ethyl]butanamide.
What is the SMILES notation for N-[2-oxo-2-(3-piperazin-1-ylpropylamino)ethyl]butanamide?
The canonical SMILES for N-[2-oxo-2-(3-piperazin-1-ylpropylamino)ethyl]butanamide is CCCC(=O)NCC(=O)NCCCN1CCNCC1.
What is the InChIKey of N-[2-oxo-2-(3-piperazin-1-ylpropylamino)ethyl]butanamide?
The InChIKey is QQQNLIAQBTZLHD-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H26N4O2/c1-2-4-12(18)16-11-13(19)15-5-3-8-17-9-6-14-7-10-17/h14H,2-11H2,1H3,(H,15,19)(H,16,18).
What are the key properties of N-[2-oxo-2-(3-piperazin-1-ylpropylamino)ethyl]butanamide?
N-[2-oxo-2-(3-piperazin-1-ylpropylamino)ethyl]butanamide has a molecular weight of 270.38 g/mol, XLogP of -0.69, 8 rotatable bonds, 3 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-oxo-2-(3-piperazin-1-ylpropylamino)ethyl]butanamide is sourced from PubChem (CID 119393390), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).