N-(2,3-dimethylbutyl)-2-methyl-2-piperazin-1-ylpropanamide

C14H29N3O — CID 80550084

IUPACN-(2,3-dimethylbutyl)-2-methyl-2-piperazin-1-ylpropanamide
SMILESCC(C)C(C)CNC(=O)C(C)(C)N1CCNCC1
InChIInChI=1S/C14H29N3O/c1-11(2)12(3)10-16-13(18)14(4,5)17-8-6-15-7-9-17/h11-12,15H,6-10H2,1-5H3,(H,16,18)
InChIKeyXMQBUIFKFJALQN-UHFFFAOYSA-N
MW255.41 g/mol
LogP1.08
Rot. Bonds5

About N-(2,3-dimethylbutyl)-2-methyl-2-piperazin-1-ylpropanamide

N-(2,3-dimethylbutyl)-2-methyl-2-piperazin-1-ylpropanamide (PubChem CID 80550084) has the molecular formula C14H29N3O and a molecular weight of 255.41 g/mol. Its IUPAC name is N-(2,3-dimethylbutyl)-2-methyl-2-piperazin-1-ylpropanamide.

Molecular Properties

Compound NameN-(2,3-dimethylbutyl)-2-methyl-2-piperazin-1-ylpropanamide
PubChem CID80550084
Molecular FormulaC14H29N3O
Molecular Weight255.41 g/mol
Exact Mass255.23
IUPAC NameN-(2,3-dimethylbutyl)-2-methyl-2-piperazin-1-ylpropanamide
SMILESCC(C)C(C)CNC(=O)C(C)(C)N1CCNCC1
InChIInChI=1S/C14H29N3O/c1-11(2)12(3)10-16-13(18)14(4,5)17-8-6-15-7-9-17/h11-12,15H,6-10H2,1-5H3,(H,16,18)
InChIKeyXMQBUIFKFJALQN-UHFFFAOYSA-N
XLogP1.08
TPSA44.37 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500255.41
LogP ≤ 51.08
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of N-(2,3-dimethylbutyl)-2-methyl-2-piperazin-1-ylpropanamide?
The IUPAC name of N-(2,3-dimethylbutyl)-2-methyl-2-piperazin-1-ylpropanamide (CID 80550084) is N-(2,3-dimethylbutyl)-2-methyl-2-piperazin-1-ylpropanamide.
What is the SMILES notation for N-(2,3-dimethylbutyl)-2-methyl-2-piperazin-1-ylpropanamide?
The canonical SMILES for N-(2,3-dimethylbutyl)-2-methyl-2-piperazin-1-ylpropanamide is CC(C)C(C)CNC(=O)C(C)(C)N1CCNCC1.
What is the InChIKey of N-(2,3-dimethylbutyl)-2-methyl-2-piperazin-1-ylpropanamide?
The InChIKey is XMQBUIFKFJALQN-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H29N3O/c1-11(2)12(3)10-16-13(18)14(4,5)17-8-6-15-7-9-17/h11-12,15H,6-10H2,1-5H3,(H,16,18).
What are the key properties of N-(2,3-dimethylbutyl)-2-methyl-2-piperazin-1-ylpropanamide?
N-(2,3-dimethylbutyl)-2-methyl-2-piperazin-1-ylpropanamide has a molecular weight of 255.41 g/mol, XLogP of 1.08, 5 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-(2,3-dimethylbutyl)-2-methyl-2-piperazin-1-ylpropanamide is sourced from PubChem (CID 80550084), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).