N-(4-oxo-4-piperazin-1-ylbutyl)propanamide

C11H21N3O2 — CID 28709367

IUPACN-(4-oxo-4-piperazin-1-ylbutyl)propanamide
SMILESCCC(=O)NCCCC(=O)N1CCNCC1
InChIInChI=1S/C11H21N3O2/c1-2-10(15)13-5-3-4-11(16)14-8-6-12-7-9-14/h12H,2-9H2,1H3,(H,13,15)
InChIKeySNVHQRAIEUBBLV-UHFFFAOYSA-N
MW227.31 g/mol
LogP-0.28
Rot. Bonds5

About N-(4-oxo-4-piperazin-1-ylbutyl)propanamide

N-(4-oxo-4-piperazin-1-ylbutyl)propanamide (PubChem CID 28709367) has the molecular formula C11H21N3O2 and a molecular weight of 227.31 g/mol. Its IUPAC name is N-(4-oxo-4-piperazin-1-ylbutyl)propanamide.

Molecular Properties

Compound NameN-(4-oxo-4-piperazin-1-ylbutyl)propanamide
PubChem CID28709367
Molecular FormulaC11H21N3O2
Molecular Weight227.31 g/mol
Exact Mass227.16
IUPAC NameN-(4-oxo-4-piperazin-1-ylbutyl)propanamide
SMILESCCC(=O)NCCCC(=O)N1CCNCC1
InChIInChI=1S/C11H21N3O2/c1-2-10(15)13-5-3-4-11(16)14-8-6-12-7-9-14/h12H,2-9H2,1H3,(H,13,15)
InChIKeySNVHQRAIEUBBLV-UHFFFAOYSA-N
XLogP-0.28
TPSA61.44 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500227.31
LogP ≤ 5-0.28
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-butyl-4-oxo-4-piperazin-1-ylbutanamide
CID 39255839
tert-butyl N-(4-oxo-4-piperazin-1-ylbutyl)carbamate
CID 50986503
5-(methylamino)-1-piperazin-1-ylpentan-1-one
CID 154943058
1,10-di(piperazin-1-yl)decane-1,10-dione
CID 19981244
1-(1,4-diazepan-1-yl)-4-(methylamino)butan-1-one
CID 60842229
1-piperazin-1-ylpentadecan-1-one
CID 126705881
N-[4-(1,4-diazepan-1-yl)-4-oxobutyl]-2,2-dimethylpropanamide;hydrochloride
CID 119416641
3-methyl-N-(3-oxo-3-piperazin-1-ylpropyl)butanamide;hydrochloride
CID 119400363
2-[methyl-(3-oxo-3-piperazin-1-ylpropyl)amino]-N-propylacetamide
CID 62543748
5-oxo-5-piperazin-1-ylpentanehydrazide
CID 2760267
1-piperazin-1-ylbutan-1-one;hydrochloride
CID 67460380
6-(2,5-dioxopyrrol-1-yl)-N-(6-oxo-6-piperazin-1-ylhexyl)hexanamide
CID 176889453

Frequently Asked Questions

What is the IUPAC name of N-(4-oxo-4-piperazin-1-ylbutyl)propanamide?
The IUPAC name of N-(4-oxo-4-piperazin-1-ylbutyl)propanamide (CID 28709367) is N-(4-oxo-4-piperazin-1-ylbutyl)propanamide.
What is the SMILES notation for N-(4-oxo-4-piperazin-1-ylbutyl)propanamide?
The canonical SMILES for N-(4-oxo-4-piperazin-1-ylbutyl)propanamide is CCC(=O)NCCCC(=O)N1CCNCC1.
What is the InChIKey of N-(4-oxo-4-piperazin-1-ylbutyl)propanamide?
The InChIKey is SNVHQRAIEUBBLV-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H21N3O2/c1-2-10(15)13-5-3-4-11(16)14-8-6-12-7-9-14/h12H,2-9H2,1H3,(H,13,15).
What are the key properties of N-(4-oxo-4-piperazin-1-ylbutyl)propanamide?
N-(4-oxo-4-piperazin-1-ylbutyl)propanamide has a molecular weight of 227.31 g/mol, XLogP of -0.28, 5 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-(4-oxo-4-piperazin-1-ylbutyl)propanamide is sourced from PubChem (CID 28709367), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).