4-(2,5-dimethylpiperazin-1-yl)-N,N-diethylbutanamide

C14H29N3O — CID 64980389

IUPAC4-(2,5-dimethylpiperazin-1-yl)-N,N-diethylbutanamide
SMILESCCN(CC)C(=O)CCCN1CC(C)NCC1C
InChIInChI=1S/C14H29N3O/c1-5-16(6-2)14(18)8-7-9-17-11-12(3)15-10-13(17)4/h12-13,15H,5-11H2,1-4H3
InChIKeyUXYLCCIICIECEB-UHFFFAOYSA-N
MW255.41 g/mol
LogP1.32
Rot. Bonds6

About 4-(2,5-dimethylpiperazin-1-yl)-N,N-diethylbutanamide

4-(2,5-dimethylpiperazin-1-yl)-N,N-diethylbutanamide (PubChem CID 64980389) has the molecular formula C14H29N3O and a molecular weight of 255.41 g/mol. Its IUPAC name is 4-(2,5-dimethylpiperazin-1-yl)-N,N-diethylbutanamide.

Molecular Properties

Compound Name4-(2,5-dimethylpiperazin-1-yl)-N,N-diethylbutanamide
PubChem CID64980389
Molecular FormulaC14H29N3O
Molecular Weight255.41 g/mol
Exact Mass255.23
IUPAC Name4-(2,5-dimethylpiperazin-1-yl)-N,N-diethylbutanamide
SMILESCCN(CC)C(=O)CCCN1CC(C)NCC1C
InChIInChI=1S/C14H29N3O/c1-5-16(6-2)14(18)8-7-9-17-11-12(3)15-10-13(17)4/h12-13,15H,5-11H2,1-4H3
InChIKeyUXYLCCIICIECEB-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 4-(2,5-dimethylpiperazin-1-yl)-N,N-diethylbutanamide?
The IUPAC name of 4-(2,5-dimethylpiperazin-1-yl)-N,N-diethylbutanamide (CID 64980389) is 4-(2,5-dimethylpiperazin-1-yl)-N,N-diethylbutanamide.
What is the SMILES notation for 4-(2,5-dimethylpiperazin-1-yl)-N,N-diethylbutanamide?
The canonical SMILES for 4-(2,5-dimethylpiperazin-1-yl)-N,N-diethylbutanamide is CCN(CC)C(=O)CCCN1CC(C)NCC1C.
What is the InChIKey of 4-(2,5-dimethylpiperazin-1-yl)-N,N-diethylbutanamide?
The InChIKey is UXYLCCIICIECEB-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H29N3O/c1-5-16(6-2)14(18)8-7-9-17-11-12(3)15-10-13(17)4/h12-13,15H,5-11H2,1-4H3.
What are the key properties of 4-(2,5-dimethylpiperazin-1-yl)-N,N-diethylbutanamide?
4-(2,5-dimethylpiperazin-1-yl)-N,N-diethylbutanamide 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 4-(2,5-dimethylpiperazin-1-yl)-N,N-diethylbutanamide is sourced from PubChem (CID 64980389), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).