N-[4-(4-methylcyclohexyl)piperazin-1-yl]acetamide

C13H25N3O — CID 54031280

IUPACN-[4-(4-methylcyclohexyl)piperazin-1-yl]acetamide
SMILESCC(=O)NN1CCN(C2CCC(C)CC2)CC1
InChIInChI=1S/C13H25N3O/c1-11-3-5-13(6-4-11)15-7-9-16(10-8-15)14-12(2)17/h11,13H,3-10H2,1-2H3,(H,14,17)
InChIKeyLFTURNSCGHGPOZ-UHFFFAOYSA-N
MW239.36 g/mol
LogP1.23
Rot. Bonds2

About N-[4-(4-methylcyclohexyl)piperazin-1-yl]acetamide

N-[4-(4-methylcyclohexyl)piperazin-1-yl]acetamide (PubChem CID 54031280) has the molecular formula C13H25N3O and a molecular weight of 239.36 g/mol. Its IUPAC name is N-[4-(4-methylcyclohexyl)piperazin-1-yl]acetamide.

Molecular Properties

Compound NameN-[4-(4-methylcyclohexyl)piperazin-1-yl]acetamide
PubChem CID54031280
Molecular FormulaC13H25N3O
Molecular Weight239.36 g/mol
Exact Mass239.20
IUPAC NameN-[4-(4-methylcyclohexyl)piperazin-1-yl]acetamide
SMILESCC(=O)NN1CCN(C2CCC(C)CC2)CC1
InChIInChI=1S/C13H25N3O/c1-11-3-5-13(6-4-11)15-7-9-16(10-8-15)14-12(2)17/h11,13H,3-10H2,1-2H3,(H,14,17)
InChIKeyLFTURNSCGHGPOZ-UHFFFAOYSA-N
XLogP1.23
TPSA35.58 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500239.36
LogP ≤ 51.23
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of N-[4-(4-methylcyclohexyl)piperazin-1-yl]acetamide?
The IUPAC name of N-[4-(4-methylcyclohexyl)piperazin-1-yl]acetamide (CID 54031280) is N-[4-(4-methylcyclohexyl)piperazin-1-yl]acetamide.
What is the SMILES notation for N-[4-(4-methylcyclohexyl)piperazin-1-yl]acetamide?
The canonical SMILES for N-[4-(4-methylcyclohexyl)piperazin-1-yl]acetamide is CC(=O)NN1CCN(C2CCC(C)CC2)CC1.
What is the InChIKey of N-[4-(4-methylcyclohexyl)piperazin-1-yl]acetamide?
The InChIKey is LFTURNSCGHGPOZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H25N3O/c1-11-3-5-13(6-4-11)15-7-9-16(10-8-15)14-12(2)17/h11,13H,3-10H2,1-2H3,(H,14,17).
What are the key properties of N-[4-(4-methylcyclohexyl)piperazin-1-yl]acetamide?
N-[4-(4-methylcyclohexyl)piperazin-1-yl]acetamide has a molecular weight of 239.36 g/mol, XLogP of 1.23, 2 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[4-(4-methylcyclohexyl)piperazin-1-yl]acetamide is sourced from PubChem (CID 54031280), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).