N-butyl-4-oxo-4-piperazin-1-ylbutanamide

C12H23N3O2 — CID 39255839

IUPACN-butyl-4-oxo-4-piperazin-1-ylbutanamide
SMILESCCCCNC(=O)CCC(=O)N1CCNCC1
InChIInChI=1S/C12H23N3O2/c1-2-3-6-14-11(16)4-5-12(17)15-9-7-13-8-10-15/h13H,2-10H2,1H3,(H,14,16)
InChIKeyPBHSSHXFBDLDCA-UHFFFAOYSA-N
MW241.33 g/mol
LogP0.11
Rot. Bonds6

About N-butyl-4-oxo-4-piperazin-1-ylbutanamide

N-butyl-4-oxo-4-piperazin-1-ylbutanamide (PubChem CID 39255839) has the molecular formula C12H23N3O2 and a molecular weight of 241.33 g/mol. Its IUPAC name is N-butyl-4-oxo-4-piperazin-1-ylbutanamide.

Molecular Properties

Compound NameN-butyl-4-oxo-4-piperazin-1-ylbutanamide
PubChem CID39255839
Molecular FormulaC12H23N3O2
Molecular Weight241.33 g/mol
Exact Mass241.18
IUPAC NameN-butyl-4-oxo-4-piperazin-1-ylbutanamide
SMILESCCCCNC(=O)CCC(=O)N1CCNCC1
InChIInChI=1S/C12H23N3O2/c1-2-3-6-14-11(16)4-5-12(17)15-9-7-13-8-10-15/h13H,2-10H2,1H3,(H,14,16)
InChIKeyPBHSSHXFBDLDCA-UHFFFAOYSA-N
XLogP0.11
TPSA61.44 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500241.33
LogP ≤ 50.11
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

N-(4-oxo-4-piperazin-1-ylbutyl)propanamide
CID 28709367
4-(3-methylpiperazin-1-yl)-4-oxo-N-propylbutanamide
CID 119579732
1-piperazin-1-ylpentadecan-1-one
CID 126705881
1-piperazin-1-ylbutan-1-one;hydrochloride
CID 67460380
(2S)-2-amino-4-[(4-oxo-4-piperazin-1-ylbutanoyl)amino]butanoic acid
CID 67155036
2-[methyl-(3-oxo-3-piperazin-1-ylpropyl)amino]-N-propylacetamide
CID 62543748
N-(1-hydroxybutan-2-yl)-4-oxo-4-piperazin-1-ylbutanamide
CID 82042344
N-butyl-2-[(3-oxo-3-piperidin-1-ylpropyl)amino]acetamide
CID 115586639
ethyl 4-[3-(butylamino)-3-oxopropanoyl]piperazine-1-carboxylate
CID 108941411
1-[4,7,10,13,16-penta(pentanoyl)-1,4,7,10,13,16-hexazacyclooctadec-1-yl]pentan-1-one
CID 603333
3-methyl-N-(3-oxo-3-piperazin-1-ylpropyl)butanamide;hydrochloride
CID 119400363
N-[2-oxo-2-(3-piperazin-1-ylpropylamino)ethyl]butanamide
CID 119393390

Frequently Asked Questions

What is the IUPAC name of N-butyl-4-oxo-4-piperazin-1-ylbutanamide?
The IUPAC name of N-butyl-4-oxo-4-piperazin-1-ylbutanamide (CID 39255839) is N-butyl-4-oxo-4-piperazin-1-ylbutanamide.
What is the SMILES notation for N-butyl-4-oxo-4-piperazin-1-ylbutanamide?
The canonical SMILES for N-butyl-4-oxo-4-piperazin-1-ylbutanamide is CCCCNC(=O)CCC(=O)N1CCNCC1.
What is the InChIKey of N-butyl-4-oxo-4-piperazin-1-ylbutanamide?
The InChIKey is PBHSSHXFBDLDCA-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H23N3O2/c1-2-3-6-14-11(16)4-5-12(17)15-9-7-13-8-10-15/h13H,2-10H2,1H3,(H,14,16).
What are the key properties of N-butyl-4-oxo-4-piperazin-1-ylbutanamide?
N-butyl-4-oxo-4-piperazin-1-ylbutanamide has a molecular weight of 241.33 g/mol, XLogP of 0.11, 6 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-butyl-4-oxo-4-piperazin-1-ylbutanamide is sourced from PubChem (CID 39255839), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).