N-(2,2-dimethylpropyl)-4-piperazin-1-ylbutanamide

C13H27N3O — CID 115178486

IUPACN-(2,2-dimethylpropyl)-4-piperazin-1-ylbutanamide
SMILESCC(C)(C)CNC(=O)CCCN1CCNCC1
InChIInChI=1S/C13H27N3O/c1-13(2,3)11-15-12(17)5-4-8-16-9-6-14-7-10-16/h14H,4-11H2,1-3H3,(H,15,17)
InChIKeyJQCWQHBLGMOHCQ-UHFFFAOYSA-N
MW241.38 g/mol
LogP0.83
Rot. Bonds5

About N-(2,2-dimethylpropyl)-4-piperazin-1-ylbutanamide

N-(2,2-dimethylpropyl)-4-piperazin-1-ylbutanamide (PubChem CID 115178486) has the molecular formula C13H27N3O and a molecular weight of 241.38 g/mol. Its IUPAC name is N-(2,2-dimethylpropyl)-4-piperazin-1-ylbutanamide.

Molecular Properties

Compound NameN-(2,2-dimethylpropyl)-4-piperazin-1-ylbutanamide
PubChem CID115178486
Molecular FormulaC13H27N3O
Molecular Weight241.38 g/mol
Exact Mass241.22
IUPAC NameN-(2,2-dimethylpropyl)-4-piperazin-1-ylbutanamide
SMILESCC(C)(C)CNC(=O)CCCN1CCNCC1
InChIInChI=1S/C13H27N3O/c1-13(2,3)11-15-12(17)5-4-8-16-9-6-14-7-10-16/h14H,4-11H2,1-3H3,(H,15,17)
InChIKeyJQCWQHBLGMOHCQ-UHFFFAOYSA-N
XLogP0.83
TPSA44.37 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500241.38
LogP ≤ 50.83
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

5,5-dimethyl-N-(3-piperazin-1-ylpropyl)hexanamide
CID 119394555
3,3-dimethyl-N-(3-piperazin-1-ylpropyl)butanamide;hydrochloride
CID 119391133
2,2-dimethyl-N-[3-oxo-3-(3-piperazin-1-ylpropylamino)propyl]propanamide
CID 119391257
2,2-dimethyl-N-[3-oxo-3-(2-piperazin-1-ylethylamino)propyl]propanamide
CID 119445483
N-(3-piperazin-1-ylpropyl)pent-4-enamide
CID 62679296
1-tert-butyl-3-(3-piperazin-1-ylpropyl)urea
CID 43443413
2,2-dimethyl-N-(3-piperazin-1-ylpropyl)butanamide
CID 55103201
tert-butyl N-(4-piperazin-1-ylbutyl)carbamate
CID 4134691
N-[2-oxo-2-(3-piperazin-1-ylpropylamino)ethyl]butanamide
CID 119393390
3,3-dimethyl-5-oxo-5-(3-piperazin-1-ylpropylamino)pentanoic acid
CID 62935271
1-(4,4-dimethylpentyl)piperazine;ethane
CID 166478738
(2-methyl-5-piperazin-1-ylpentan-2-yl)carbamic acid
CID 175454459

Frequently Asked Questions

What is the IUPAC name of N-(2,2-dimethylpropyl)-4-piperazin-1-ylbutanamide?
The IUPAC name of N-(2,2-dimethylpropyl)-4-piperazin-1-ylbutanamide (CID 115178486) is N-(2,2-dimethylpropyl)-4-piperazin-1-ylbutanamide.
What is the SMILES notation for N-(2,2-dimethylpropyl)-4-piperazin-1-ylbutanamide?
The canonical SMILES for N-(2,2-dimethylpropyl)-4-piperazin-1-ylbutanamide is CC(C)(C)CNC(=O)CCCN1CCNCC1.
What is the InChIKey of N-(2,2-dimethylpropyl)-4-piperazin-1-ylbutanamide?
The InChIKey is JQCWQHBLGMOHCQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H27N3O/c1-13(2,3)11-15-12(17)5-4-8-16-9-6-14-7-10-16/h14H,4-11H2,1-3H3,(H,15,17).
What are the key properties of N-(2,2-dimethylpropyl)-4-piperazin-1-ylbutanamide?
N-(2,2-dimethylpropyl)-4-piperazin-1-ylbutanamide has a molecular weight of 241.38 g/mol, XLogP of 0.83, 5 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-(2,2-dimethylpropyl)-4-piperazin-1-ylbutanamide is sourced from PubChem (CID 115178486), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).