3,3-dimethyl-N-piperazin-1-ylbutanamide

C10H21N3O — CID 166132083

IUPAC3,3-dimethyl-N-piperazin-1-ylbutanamide
SMILESCC(C)(C)CC(=O)NN1CCNCC1
InChIInChI=1S/C10H21N3O/c1-10(2,3)8-9(14)12-13-6-4-11-5-7-13/h11H,4-8H2,1-3H3,(H,12,14)
InChIKeyINZLDSKKFJDHFM-UHFFFAOYSA-N
MW199.30 g/mol
LogP0.36
Rot. Bonds2

About 3,3-dimethyl-N-piperazin-1-ylbutanamide

3,3-dimethyl-N-piperazin-1-ylbutanamide (PubChem CID 166132083) has the molecular formula C10H21N3O and a molecular weight of 199.30 g/mol. Its IUPAC name is 3,3-dimethyl-N-piperazin-1-ylbutanamide.

Molecular Properties

Compound Name3,3-dimethyl-N-piperazin-1-ylbutanamide
PubChem CID166132083
Molecular FormulaC10H21N3O
Molecular Weight199.30 g/mol
Exact Mass199.17
IUPAC Name3,3-dimethyl-N-piperazin-1-ylbutanamide
SMILESCC(C)(C)CC(=O)NN1CCNCC1
InChIInChI=1S/C10H21N3O/c1-10(2,3)8-9(14)12-13-6-4-11-5-7-13/h11H,4-8H2,1-3H3,(H,12,14)
InChIKeyINZLDSKKFJDHFM-UHFFFAOYSA-N
XLogP0.36
TPSA44.37 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500199.30
LogP ≤ 50.36
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 3,3-dimethyl-N-piperazin-1-ylbutanamide?
The IUPAC name of 3,3-dimethyl-N-piperazin-1-ylbutanamide (CID 166132083) is 3,3-dimethyl-N-piperazin-1-ylbutanamide.
What is the SMILES notation for 3,3-dimethyl-N-piperazin-1-ylbutanamide?
The canonical SMILES for 3,3-dimethyl-N-piperazin-1-ylbutanamide is CC(C)(C)CC(=O)NN1CCNCC1.
What is the InChIKey of 3,3-dimethyl-N-piperazin-1-ylbutanamide?
The InChIKey is INZLDSKKFJDHFM-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H21N3O/c1-10(2,3)8-9(14)12-13-6-4-11-5-7-13/h11H,4-8H2,1-3H3,(H,12,14).
What are the key properties of 3,3-dimethyl-N-piperazin-1-ylbutanamide?
3,3-dimethyl-N-piperazin-1-ylbutanamide has a molecular weight of 199.30 g/mol, XLogP of 0.36, 2 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3,3-dimethyl-N-piperazin-1-ylbutanamide is sourced from PubChem (CID 166132083), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).