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

C14H29N3O — CID 80548520

IUPACN-butyl-N-ethyl-2-methyl-2-piperazin-1-ylpropanamide
SMILESCCCCN(CC)C(=O)C(C)(C)N1CCNCC1
InChIInChI=1S/C14H29N3O/c1-5-7-10-16(6-2)13(18)14(3,4)17-11-8-15-9-12-17/h15H,5-12H2,1-4H3
InChIKeyGMYZMGVPINAWRV-UHFFFAOYSA-N
MW255.41 g/mol
LogP1.32
Rot. Bonds6

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

N-butyl-N-ethyl-2-methyl-2-piperazin-1-ylpropanamide (PubChem CID 80548520) has the molecular formula C14H29N3O and a molecular weight of 255.41 g/mol. Its IUPAC name is N-butyl-N-ethyl-2-methyl-2-piperazin-1-ylpropanamide.

Molecular Properties

Compound NameN-butyl-N-ethyl-2-methyl-2-piperazin-1-ylpropanamide
PubChem CID80548520
Molecular FormulaC14H29N3O
Molecular Weight255.41 g/mol
Exact Mass255.23
IUPAC NameN-butyl-N-ethyl-2-methyl-2-piperazin-1-ylpropanamide
SMILESCCCCN(CC)C(=O)C(C)(C)N1CCNCC1
InChIInChI=1S/C14H29N3O/c1-5-7-10-16(6-2)13(18)14(3,4)17-11-8-15-9-12-17/h15H,5-12H2,1-4H3
InChIKeyGMYZMGVPINAWRV-UHFFFAOYSA-N
XLogP1.32
TPSA35.58 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500255.41
LogP ≤ 51.32
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of N-butyl-N-ethyl-2-methyl-2-piperazin-1-ylpropanamide?
The IUPAC name of N-butyl-N-ethyl-2-methyl-2-piperazin-1-ylpropanamide (CID 80548520) is N-butyl-N-ethyl-2-methyl-2-piperazin-1-ylpropanamide.
What is the SMILES notation for N-butyl-N-ethyl-2-methyl-2-piperazin-1-ylpropanamide?
The canonical SMILES for N-butyl-N-ethyl-2-methyl-2-piperazin-1-ylpropanamide is CCCCN(CC)C(=O)C(C)(C)N1CCNCC1.
What is the InChIKey of N-butyl-N-ethyl-2-methyl-2-piperazin-1-ylpropanamide?
The InChIKey is GMYZMGVPINAWRV-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H29N3O/c1-5-7-10-16(6-2)13(18)14(3,4)17-11-8-15-9-12-17/h15H,5-12H2,1-4H3.
What are the key properties of N-butyl-N-ethyl-2-methyl-2-piperazin-1-ylpropanamide?
N-butyl-N-ethyl-2-methyl-2-piperazin-1-ylpropanamide has a molecular weight of 255.41 g/mol, XLogP of 1.32, 6 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-butyl-N-ethyl-2-methyl-2-piperazin-1-ylpropanamide is sourced from PubChem (CID 80548520), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).