N-butyl-N-methyl-2-piperazin-1-ylpropanamide

C12H25N3O — CID 43130649

IUPACN-butyl-N-methyl-2-piperazin-1-ylpropanamide
SMILESCCCCN(C)C(=O)C(C)N1CCNCC1
InChIInChI=1S/C12H25N3O/c1-4-5-8-14(3)12(16)11(2)15-9-6-13-7-10-15/h11,13H,4-10H2,1-3H3
InChIKeyNHTKGQPSCKCRGW-UHFFFAOYSA-N
MW227.35 g/mol
LogP0.54
Rot. Bonds5

About N-butyl-N-methyl-2-piperazin-1-ylpropanamide

N-butyl-N-methyl-2-piperazin-1-ylpropanamide (PubChem CID 43130649) has the molecular formula C12H25N3O and a molecular weight of 227.35 g/mol. Its IUPAC name is N-butyl-N-methyl-2-piperazin-1-ylpropanamide.

Molecular Properties

Compound NameN-butyl-N-methyl-2-piperazin-1-ylpropanamide
PubChem CID43130649
Molecular FormulaC12H25N3O
Molecular Weight227.35 g/mol
Exact Mass227.20
IUPAC NameN-butyl-N-methyl-2-piperazin-1-ylpropanamide
SMILESCCCCN(C)C(=O)C(C)N1CCNCC1
InChIInChI=1S/C12H25N3O/c1-4-5-8-14(3)12(16)11(2)15-9-6-13-7-10-15/h11,13H,4-10H2,1-3H3
InChIKeyNHTKGQPSCKCRGW-UHFFFAOYSA-N
XLogP0.54
TPSA35.58 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500227.35
LogP ≤ 50.54
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of N-butyl-N-methyl-2-piperazin-1-ylpropanamide?
The IUPAC name of N-butyl-N-methyl-2-piperazin-1-ylpropanamide (CID 43130649) is N-butyl-N-methyl-2-piperazin-1-ylpropanamide.
What is the SMILES notation for N-butyl-N-methyl-2-piperazin-1-ylpropanamide?
The canonical SMILES for N-butyl-N-methyl-2-piperazin-1-ylpropanamide is CCCCN(C)C(=O)C(C)N1CCNCC1.
What is the InChIKey of N-butyl-N-methyl-2-piperazin-1-ylpropanamide?
The InChIKey is NHTKGQPSCKCRGW-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H25N3O/c1-4-5-8-14(3)12(16)11(2)15-9-6-13-7-10-15/h11,13H,4-10H2,1-3H3.
What are the key properties of N-butyl-N-methyl-2-piperazin-1-ylpropanamide?
N-butyl-N-methyl-2-piperazin-1-ylpropanamide has a molecular weight of 227.35 g/mol, XLogP of 0.54, 5 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-butyl-N-methyl-2-piperazin-1-ylpropanamide is sourced from PubChem (CID 43130649), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).