N-piperazin-1-ylbutanamide

C8H17N3O — CID 54039259

IUPACN-piperazin-1-ylbutanamide
SMILESCCCC(=O)NN1CCNCC1
InChIInChI=1S/C8H17N3O/c1-2-3-8(12)10-11-6-4-9-5-7-11/h9H,2-7H2,1H3,(H,10,12)
InChIKeyDKCNYVQOHRQHCO-UHFFFAOYSA-N
MW171.24 g/mol
LogP-0.28
Rot. Bonds3

About N-piperazin-1-ylbutanamide

N-piperazin-1-ylbutanamide (PubChem CID 54039259) has the molecular formula C8H17N3O and a molecular weight of 171.24 g/mol. Its IUPAC name is N-piperazin-1-ylbutanamide.

Molecular Properties

Compound NameN-piperazin-1-ylbutanamide
PubChem CID54039259
Molecular FormulaC8H17N3O
Molecular Weight171.24 g/mol
Exact Mass171.14
IUPAC NameN-piperazin-1-ylbutanamide
SMILESCCCC(=O)NN1CCNCC1
InChIInChI=1S/C8H17N3O/c1-2-3-8(12)10-11-6-4-9-5-7-11/h9H,2-7H2,1H3,(H,10,12)
InChIKeyDKCNYVQOHRQHCO-UHFFFAOYSA-N
XLogP-0.28
TPSA44.37 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500171.24
LogP ≤ 5-0.28
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

3,3-dimethyl-N-(4-methylpiperazin-1-yl)butanamide
CID 2970758
N-(4-methylpiperazin-1-yl)cyclopropanecarboxamide
CID 567398
2-methyl-N-(4-methylpiperazin-1-yl)propanamide
CID 3331812
3-methyl-N-(4-methylpiperazin-1-yl)butanamide
CID 4118578
N-(4-methylpiperazin-1-yl)butanamide
CID 4129194
N-(4-methylpiperazin-1-yl)propanamide
CID 5054390
N-(4-methylpiperazin-1-yl)pentanamide
CID 5147663
N-piperidin-1-yl-butyramide
CID 17164277
N-piperazin-1-ylpropanamide
CID 21647104
N-piperazin-1-ylacetamide
CID 53273950
2,2-dimethyl-N-piperazin-1-ylpropanamide
CID 54294992
2-methyl-N-piperazin-1-ylpropanamide
CID 58682974

Frequently Asked Questions

What is the IUPAC name of N-piperazin-1-ylbutanamide?
The IUPAC name of N-piperazin-1-ylbutanamide (CID 54039259) is N-piperazin-1-ylbutanamide.
What is the SMILES notation for N-piperazin-1-ylbutanamide?
The canonical SMILES for N-piperazin-1-ylbutanamide is CCCC(=O)NN1CCNCC1.
What is the InChIKey of N-piperazin-1-ylbutanamide?
The InChIKey is DKCNYVQOHRQHCO-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H17N3O/c1-2-3-8(12)10-11-6-4-9-5-7-11/h9H,2-7H2,1H3,(H,10,12).
What are the key properties of N-piperazin-1-ylbutanamide?
N-piperazin-1-ylbutanamide has a molecular weight of 171.24 g/mol, XLogP of -0.28, 3 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-piperazin-1-ylbutanamide is sourced from PubChem (CID 54039259), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).