3-methyl-N-piperazin-1-ylbutanamide

C9H19N3O — CID 126578161

IUPAC3-methyl-N-piperazin-1-ylbutanamide
SMILESCC(C)CC(=O)NN1CCNCC1
InChIInChI=1S/C9H19N3O/c1-8(2)7-9(13)11-12-5-3-10-4-6-12/h8,10H,3-7H2,1-2H3,(H,11,13)
InChIKeyHKGMSNFYUDVRSQ-UHFFFAOYSA-N
MW185.27 g/mol
LogP-0.03
Rot. Bonds3

About 3-methyl-N-piperazin-1-ylbutanamide

3-methyl-N-piperazin-1-ylbutanamide (PubChem CID 126578161) has the molecular formula C9H19N3O and a molecular weight of 185.27 g/mol. Its IUPAC name is 3-methyl-N-piperazin-1-ylbutanamide.

Molecular Properties

Compound Name3-methyl-N-piperazin-1-ylbutanamide
PubChem CID126578161
Molecular FormulaC9H19N3O
Molecular Weight185.27 g/mol
Exact Mass185.15
IUPAC Name3-methyl-N-piperazin-1-ylbutanamide
SMILESCC(C)CC(=O)NN1CCNCC1
InChIInChI=1S/C9H19N3O/c1-8(2)7-9(13)11-12-5-3-10-4-6-12/h8,10H,3-7H2,1-2H3,(H,11,13)
InChIKeyHKGMSNFYUDVRSQ-UHFFFAOYSA-N
XLogP-0.03
TPSA44.37 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500185.27
LogP ≤ 5-0.03
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 3-methyl-N-piperazin-1-ylbutanamide?
The IUPAC name of 3-methyl-N-piperazin-1-ylbutanamide (CID 126578161) is 3-methyl-N-piperazin-1-ylbutanamide.
What is the SMILES notation for 3-methyl-N-piperazin-1-ylbutanamide?
The canonical SMILES for 3-methyl-N-piperazin-1-ylbutanamide is CC(C)CC(=O)NN1CCNCC1.
What is the InChIKey of 3-methyl-N-piperazin-1-ylbutanamide?
The InChIKey is HKGMSNFYUDVRSQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H19N3O/c1-8(2)7-9(13)11-12-5-3-10-4-6-12/h8,10H,3-7H2,1-2H3,(H,11,13).
What are the key properties of 3-methyl-N-piperazin-1-ylbutanamide?
3-methyl-N-piperazin-1-ylbutanamide has a molecular weight of 185.27 g/mol, XLogP of -0.03, 3 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-methyl-N-piperazin-1-ylbutanamide is sourced from PubChem (CID 126578161), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).