1-[2,5-bis(2-methylpropyl)piperazin-1-yl]propan-1-one

C15H30N2O — CID 82245316

IUPAC1-[2,5-bis(2-methylpropyl)piperazin-1-yl]propan-1-one
SMILESCCC(=O)N1CC(CC(C)C)NCC1CC(C)C
InChIInChI=1S/C15H30N2O/c1-6-15(18)17-10-13(7-11(2)3)16-9-14(17)8-12(4)5/h11-14,16H,6-10H2,1-5H3
InChIKeyOPKBBYHTXWJBOC-UHFFFAOYSA-N
MW254.42 g/mol
LogP2.66
Rot. Bonds5

About 1-[2,5-bis(2-methylpropyl)piperazin-1-yl]propan-1-one

1-[2,5-bis(2-methylpropyl)piperazin-1-yl]propan-1-one (PubChem CID 82245316) has the molecular formula C15H30N2O and a molecular weight of 254.42 g/mol. Its IUPAC name is 1-[2,5-bis(2-methylpropyl)piperazin-1-yl]propan-1-one.

Molecular Properties

Compound Name1-[2,5-bis(2-methylpropyl)piperazin-1-yl]propan-1-one
PubChem CID82245316
Molecular FormulaC15H30N2O
Molecular Weight254.42 g/mol
Exact Mass254.24
IUPAC Name1-[2,5-bis(2-methylpropyl)piperazin-1-yl]propan-1-one
SMILESCCC(=O)N1CC(CC(C)C)NCC1CC(C)C
InChIInChI=1S/C15H30N2O/c1-6-15(18)17-10-13(7-11(2)3)16-9-14(17)8-12(4)5/h11-14,16H,6-10H2,1-5H3
InChIKeyOPKBBYHTXWJBOC-UHFFFAOYSA-N
XLogP2.66
TPSA32.34 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500254.42
LogP ≤ 52.66
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Analyze 1-[2,5-bis(2-methylpropyl)piperazin-1-yl]propan-1-one with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

tert-butyl 2,5-bis(2-methylpropyl)piperazine-1-carboxylate
CID 156757894
N,N-diethyl-2-methyl-5-(2-methylpropyl)piperazine-1-carboxamide
CID 82245441
2-[(2S,5S,8S,11S)-7,10-bis(carboxymethyl)-2,5,8,11-tetrakis(2-methylpropyl)-1,4,7,10-tetrazacyclododec-1-yl]acetic acid
CID 153325403
3-methoxy-1-[2-methyl-5-(2-methylpropyl)piperazin-1-yl]propan-1-one
CID 82243898
1-[2-(2-methylpropyl)-5-phenylpiperazin-1-yl]butan-1-one
CID 82250334
2-ethyl-1-(2-ethylbutyl)-5-(2-methylpropyl)piperazine
CID 82925413
1-(2,3-dimethylbutyl)-2-ethyl-5-(2-methylpropyl)piperazine
CID 64941869
N,N-dimethyl-2-(2-methylpropyl)-5-propan-2-ylpiperazine-1-carboxamide
CID 82245449
2-ethyl-1-(5-methylhexyl)-5-(2-methylpropyl)piperazine
CID 115327036
1-(2,5-diethylpiperazin-1-yl)butan-1-one
CID 64977925
2,5-bis(2-methylpropyl)-1-(2-methylsulfonylethyl)piperazine
CID 64849321
2-ethyl-1-heptyl-5-(2-methylpropyl)piperazine
CID 64848724

Frequently Asked Questions

What is the IUPAC name of 1-[2,5-bis(2-methylpropyl)piperazin-1-yl]propan-1-one?
The IUPAC name of 1-[2,5-bis(2-methylpropyl)piperazin-1-yl]propan-1-one (CID 82245316) is 1-[2,5-bis(2-methylpropyl)piperazin-1-yl]propan-1-one.
What is the SMILES notation for 1-[2,5-bis(2-methylpropyl)piperazin-1-yl]propan-1-one?
The canonical SMILES for 1-[2,5-bis(2-methylpropyl)piperazin-1-yl]propan-1-one is CCC(=O)N1CC(CC(C)C)NCC1CC(C)C.
What is the InChIKey of 1-[2,5-bis(2-methylpropyl)piperazin-1-yl]propan-1-one?
The InChIKey is OPKBBYHTXWJBOC-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H30N2O/c1-6-15(18)17-10-13(7-11(2)3)16-9-14(17)8-12(4)5/h11-14,16H,6-10H2,1-5H3.
What are the key properties of 1-[2,5-bis(2-methylpropyl)piperazin-1-yl]propan-1-one?
1-[2,5-bis(2-methylpropyl)piperazin-1-yl]propan-1-one has a molecular weight of 254.42 g/mol, XLogP of 2.66, 5 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[2,5-bis(2-methylpropyl)piperazin-1-yl]propan-1-one is sourced from PubChem (CID 82245316), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).