2-(2,5-dimethylpiperazin-1-yl)-N-(5-methylhexan-2-yl)acetamide

C15H31N3O — CID 64980257

IUPAC2-(2,5-dimethylpiperazin-1-yl)-N-(5-methylhexan-2-yl)acetamide
SMILESCC(C)CCC(C)NC(=O)CN1CC(C)NCC1C
InChIInChI=1S/C15H31N3O/c1-11(2)6-7-12(3)17-15(19)10-18-9-13(4)16-8-14(18)5/h11-14,16H,6-10H2,1-5H3,(H,17,19)
InChIKeyBUVHONQAHYIXFR-UHFFFAOYSA-N
MW269.43 g/mol
LogP1.61
Rot. Bonds6

About 2-(2,5-dimethylpiperazin-1-yl)-N-(5-methylhexan-2-yl)acetamide

2-(2,5-dimethylpiperazin-1-yl)-N-(5-methylhexan-2-yl)acetamide (PubChem CID 64980257) has the molecular formula C15H31N3O and a molecular weight of 269.43 g/mol. Its IUPAC name is 2-(2,5-dimethylpiperazin-1-yl)-N-(5-methylhexan-2-yl)acetamide.

Molecular Properties

Compound Name2-(2,5-dimethylpiperazin-1-yl)-N-(5-methylhexan-2-yl)acetamide
PubChem CID64980257
Molecular FormulaC15H31N3O
Molecular Weight269.43 g/mol
Exact Mass269.25
IUPAC Name2-(2,5-dimethylpiperazin-1-yl)-N-(5-methylhexan-2-yl)acetamide
SMILESCC(C)CCC(C)NC(=O)CN1CC(C)NCC1C
InChIInChI=1S/C15H31N3O/c1-11(2)6-7-12(3)17-15(19)10-18-9-13(4)16-8-14(18)5/h11-14,16H,6-10H2,1-5H3,(H,17,19)
InChIKeyBUVHONQAHYIXFR-UHFFFAOYSA-N
XLogP1.61
TPSA44.37 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500269.43
LogP ≤ 51.61
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

2-(2,5-dimethylpiperazin-1-yl)-N-propan-2-ylacetamide
CID 64980506
2-[4-(aminomethyl)-2-methylpyrrolidin-1-yl]-N-(5-methylhexan-2-yl)acetamide
CID 115486274
3-(2,5-dimethylpiperazin-1-yl)-N-propan-2-ylpropanamide
CID 64980409
2-(2,5-dimethylpiperazin-1-yl)-N-prop-2-ynylacetamide
CID 64980630
N-(2-acetamidoethyl)-2-(2,5-dimethylpiperazin-1-yl)acetamide
CID 64980464
2-(2,5-dimethylpiperazin-1-yl)-N-(4-methylcyclohexyl)acetamide
CID 64980306
2-(2,5-dimethylpiperazin-1-yl)-N-(3-methyl-1,2-oxazol-5-yl)acetamide
CID 64980273
2-(2,5-dimethylpiperazin-1-yl)-N-(4-methylphenyl)acetamide
CID 64980300
methyl 4-[[2-(2,5-dimethylpiperazin-1-yl)acetyl]amino]butanoate
CID 64980819
N-(4-bromophenyl)-2-(2,5-dimethylpiperazin-1-yl)acetamide
CID 64980676
2-(2,5-dimethylpiperazin-1-yl)-N-(5-methyl-1,3,4-oxadiazol-2-yl)acetamide
CID 64980675
2-(2,5-dimethylpiperazin-1-yl)-N-(2-iodophenyl)acetamide
CID 64980495

Frequently Asked Questions

What is the IUPAC name of 2-(2,5-dimethylpiperazin-1-yl)-N-(5-methylhexan-2-yl)acetamide?
The IUPAC name of 2-(2,5-dimethylpiperazin-1-yl)-N-(5-methylhexan-2-yl)acetamide (CID 64980257) is 2-(2,5-dimethylpiperazin-1-yl)-N-(5-methylhexan-2-yl)acetamide.
What is the SMILES notation for 2-(2,5-dimethylpiperazin-1-yl)-N-(5-methylhexan-2-yl)acetamide?
The canonical SMILES for 2-(2,5-dimethylpiperazin-1-yl)-N-(5-methylhexan-2-yl)acetamide is CC(C)CCC(C)NC(=O)CN1CC(C)NCC1C.
What is the InChIKey of 2-(2,5-dimethylpiperazin-1-yl)-N-(5-methylhexan-2-yl)acetamide?
The InChIKey is BUVHONQAHYIXFR-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H31N3O/c1-11(2)6-7-12(3)17-15(19)10-18-9-13(4)16-8-14(18)5/h11-14,16H,6-10H2,1-5H3,(H,17,19).
What are the key properties of 2-(2,5-dimethylpiperazin-1-yl)-N-(5-methylhexan-2-yl)acetamide?
2-(2,5-dimethylpiperazin-1-yl)-N-(5-methylhexan-2-yl)acetamide has a molecular weight of 269.43 g/mol, XLogP of 1.61, 6 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(2,5-dimethylpiperazin-1-yl)-N-(5-methylhexan-2-yl)acetamide is sourced from PubChem (CID 64980257), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).