3-piperazin-1-yl-N-(2,2,3-trimethylbutyl)butanamide

C15H31N3O — CID 115189179

IUPAC3-piperazin-1-yl-N-(2,2,3-trimethylbutyl)butanamide
SMILESCC(CC(=O)NCC(C)(C)C(C)C)N1CCNCC1
InChIInChI=1S/C15H31N3O/c1-12(2)15(4,5)11-17-14(19)10-13(3)18-8-6-16-7-9-18/h12-13,16H,6-11H2,1-5H3,(H,17,19)
InChIKeyKSGDVNLMXYGEAZ-UHFFFAOYSA-N
MW269.43 g/mol
LogP1.47
Rot. Bonds6

About 3-piperazin-1-yl-N-(2,2,3-trimethylbutyl)butanamide

3-piperazin-1-yl-N-(2,2,3-trimethylbutyl)butanamide (PubChem CID 115189179) has the molecular formula C15H31N3O and a molecular weight of 269.43 g/mol. Its IUPAC name is 3-piperazin-1-yl-N-(2,2,3-trimethylbutyl)butanamide.

Molecular Properties

Compound Name3-piperazin-1-yl-N-(2,2,3-trimethylbutyl)butanamide
PubChem CID115189179
Molecular FormulaC15H31N3O
Molecular Weight269.43 g/mol
Exact Mass269.25
IUPAC Name3-piperazin-1-yl-N-(2,2,3-trimethylbutyl)butanamide
SMILESCC(CC(=O)NCC(C)(C)C(C)C)N1CCNCC1
InChIInChI=1S/C15H31N3O/c1-12(2)15(4,5)11-17-14(19)10-13(3)18-8-6-16-7-9-18/h12-13,16H,6-11H2,1-5H3,(H,17,19)
InChIKeyKSGDVNLMXYGEAZ-UHFFFAOYSA-N
XLogP1.47
TPSA44.37 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500269.43
LogP ≤ 51.47
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

N-(oxan-4-ylmethyl)-3-piperazin-1-ylbutanamide
CID 115189158
3-piperazin-1-yl-N-(1H-pyrrol-2-ylmethyl)butanamide
CID 115189153
3-piperazin-1-yl-N-pyridin-2-ylbutanamide
CID 115189124
N-(4-bromophenyl)-3-piperazin-1-ylbutanamide
CID 84606772
3-methyl-N-(3-oxo-3-piperazin-1-ylpropyl)butanamide;hydrochloride
CID 119400363
2-(cyclopentylamino)-N-(2,2,3-trimethylbutyl)acetamide
CID 114100118
N'-tert-butyl-2-piperazin-1-ylbutanediamide
CID 66430221
(2R)-3,3-dimethyl-2-piperazin-1-ylbutanoic acid
CID 97170402
1-[(Z)-4-methylhept-4-en-6-yn-2-yl]piperazine
CID 88957770
2-methyl-4-oxo-2-propan-2-yl-4-(2,2,3-trimethylbutylamino)butanoic acid
CID 114099256
N-(2-methyl-4-piperazin-1-ylpentan-2-yl)thiohydroxylamine
CID 164863385
3-methyl-N-(2-piperazin-1-ylethyl)butanamide;hydrochloride
CID 119447149

Frequently Asked Questions

What is the IUPAC name of 3-piperazin-1-yl-N-(2,2,3-trimethylbutyl)butanamide?
The IUPAC name of 3-piperazin-1-yl-N-(2,2,3-trimethylbutyl)butanamide (CID 115189179) is 3-piperazin-1-yl-N-(2,2,3-trimethylbutyl)butanamide.
What is the SMILES notation for 3-piperazin-1-yl-N-(2,2,3-trimethylbutyl)butanamide?
The canonical SMILES for 3-piperazin-1-yl-N-(2,2,3-trimethylbutyl)butanamide is CC(CC(=O)NCC(C)(C)C(C)C)N1CCNCC1.
What is the InChIKey of 3-piperazin-1-yl-N-(2,2,3-trimethylbutyl)butanamide?
The InChIKey is KSGDVNLMXYGEAZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H31N3O/c1-12(2)15(4,5)11-17-14(19)10-13(3)18-8-6-16-7-9-18/h12-13,16H,6-11H2,1-5H3,(H,17,19).
What are the key properties of 3-piperazin-1-yl-N-(2,2,3-trimethylbutyl)butanamide?
3-piperazin-1-yl-N-(2,2,3-trimethylbutyl)butanamide has a molecular weight of 269.43 g/mol, XLogP of 1.47, 6 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-piperazin-1-yl-N-(2,2,3-trimethylbutyl)butanamide is sourced from PubChem (CID 115189179), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).