3-(2,5-dimethylpiperazin-1-yl)-N-propan-2-ylpropanamide

C12H25N3O — CID 64980409

IUPAC3-(2,5-dimethylpiperazin-1-yl)-N-propan-2-ylpropanamide
SMILESCC(C)NC(=O)CCN1CC(C)NCC1C
InChIInChI=1S/C12H25N3O/c1-9(2)14-12(16)5-6-15-8-10(3)13-7-11(15)4/h9-11,13H,5-8H2,1-4H3,(H,14,16)
InChIKeyNFCUMKNTCUSUPV-UHFFFAOYSA-N
MW227.35 g/mol
LogP0.58
Rot. Bonds4

About 3-(2,5-dimethylpiperazin-1-yl)-N-propan-2-ylpropanamide

3-(2,5-dimethylpiperazin-1-yl)-N-propan-2-ylpropanamide (PubChem CID 64980409) has the molecular formula C12H25N3O and a molecular weight of 227.35 g/mol. Its IUPAC name is 3-(2,5-dimethylpiperazin-1-yl)-N-propan-2-ylpropanamide.

Molecular Properties

Compound Name3-(2,5-dimethylpiperazin-1-yl)-N-propan-2-ylpropanamide
PubChem CID64980409
Molecular FormulaC12H25N3O
Molecular Weight227.35 g/mol
Exact Mass227.20
IUPAC Name3-(2,5-dimethylpiperazin-1-yl)-N-propan-2-ylpropanamide
SMILESCC(C)NC(=O)CCN1CC(C)NCC1C
InChIInChI=1S/C12H25N3O/c1-9(2)14-12(16)5-6-15-8-10(3)13-7-11(15)4/h9-11,13H,5-8H2,1-4H3,(H,14,16)
InChIKeyNFCUMKNTCUSUPV-UHFFFAOYSA-N
XLogP0.58
TPSA44.37 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500227.35
LogP ≤ 50.58
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
3-(2-methylpiperazin-1-yl)-N-propan-2-ylpropanamide
CID 62671402
2-(2,5-dimethylpiperazin-1-yl)-N-(5-methylhexan-2-yl)acetamide
CID 64980257
2-(2,5-dimethylpiperazin-1-yl)ethanamine
CID 19767343
4-(2,5-dimethylpiperazin-1-yl)-N,N-diethylbutanamide
CID 64980389
1-dodecyl-2,5-dimethylpiperazine
CID 3030143
3-methyl-1-[3-oxo-3-(propan-2-ylamino)propyl]pyrrolidine-2-carboxylic acid
CID 102784810
2-(2,5-dimethylpiperazin-1-yl)-N-prop-2-ynylacetamide
CID 64980630
methyl 4-[[2-(2,5-dimethylpiperazin-1-yl)acetyl]amino]butanoate
CID 64980819
2-(2,5-dimethylpiperazin-1-yl)-N-(4-methylcyclohexyl)acetamide
CID 64980306
3-[2-(aminomethyl)azepan-1-yl]-N-propan-2-ylpropanamide
CID 116640520
methyl 3-(2,5-dimethylpiperazin-1-yl)-2,2-dimethylpropanoate
CID 79619817

Frequently Asked Questions

What is the IUPAC name of 3-(2,5-dimethylpiperazin-1-yl)-N-propan-2-ylpropanamide?
The IUPAC name of 3-(2,5-dimethylpiperazin-1-yl)-N-propan-2-ylpropanamide (CID 64980409) is 3-(2,5-dimethylpiperazin-1-yl)-N-propan-2-ylpropanamide.
What is the SMILES notation for 3-(2,5-dimethylpiperazin-1-yl)-N-propan-2-ylpropanamide?
The canonical SMILES for 3-(2,5-dimethylpiperazin-1-yl)-N-propan-2-ylpropanamide is CC(C)NC(=O)CCN1CC(C)NCC1C.
What is the InChIKey of 3-(2,5-dimethylpiperazin-1-yl)-N-propan-2-ylpropanamide?
The InChIKey is NFCUMKNTCUSUPV-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H25N3O/c1-9(2)14-12(16)5-6-15-8-10(3)13-7-11(15)4/h9-11,13H,5-8H2,1-4H3,(H,14,16).
What are the key properties of 3-(2,5-dimethylpiperazin-1-yl)-N-propan-2-ylpropanamide?
3-(2,5-dimethylpiperazin-1-yl)-N-propan-2-ylpropanamide has a molecular weight of 227.35 g/mol, XLogP of 0.58, 4 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(2,5-dimethylpiperazin-1-yl)-N-propan-2-ylpropanamide is sourced from PubChem (CID 64980409), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).