2-[4-(4-methylcyclohexyl)piperazin-1-yl]acetamide

C13H25N3O — CID 3048977

IUPAC2-[4-(4-methylcyclohexyl)piperazin-1-yl]acetamide
SMILESCC1CCC(N2CCN(CC(N)=O)CC2)CC1
InChIInChI=1S/C13H25N3O/c1-11-2-4-12(5-3-11)16-8-6-15(7-9-16)10-13(14)17/h11-12H,2-10H2,1H3,(H2,14,17)
InChIKeyMXJJTLYINYLZTB-UHFFFAOYSA-N
MW239.36 g/mol
LogP0.67
Rot. Bonds3

About 2-[4-(4-methylcyclohexyl)piperazin-1-yl]acetamide

2-[4-(4-methylcyclohexyl)piperazin-1-yl]acetamide (PubChem CID 3048977) has the molecular formula C13H25N3O and a molecular weight of 239.36 g/mol. Its IUPAC name is 2-[4-(4-methylcyclohexyl)piperazin-1-yl]acetamide.

Molecular Properties

Compound Name2-[4-(4-methylcyclohexyl)piperazin-1-yl]acetamide
PubChem CID3048977
Molecular FormulaC13H25N3O
Molecular Weight239.36 g/mol
Exact Mass239.20
IUPAC Name2-[4-(4-methylcyclohexyl)piperazin-1-yl]acetamide
SMILESCC1CCC(N2CCN(CC(N)=O)CC2)CC1
InChIInChI=1S/C13H25N3O/c1-11-2-4-12(5-3-11)16-8-6-15(7-9-16)10-13(14)17/h11-12H,2-10H2,1H3,(H2,14,17)
InChIKeyMXJJTLYINYLZTB-UHFFFAOYSA-N
XLogP0.67
TPSA49.57 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500239.36
LogP ≤ 50.67
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

N-cyclohexyl-2-(4-methyl-1-piperidinyl)acetamide hydrochloride
CID 2959553
(6S)-6-(4-aminobutyl)-1-(cyclohexylmethyl)piperazine-2,3-dione
CID 16745886
(6S)-1-butyl-6-(cyclohexylmethyl)piperazine-2,3-dione
CID 53299358
(6R)-6-butyl-1-(4-cyclohexylbutyl)piperazine-2,3-dione
CID 53299353
1-Piperidineacetamide, N-(1-methylcyclohexyl)-, hydrochloride
CID 3066028
N-(4-methylcyclohexyl)-2-(piperazin-1-yl)acetamide
CID 22762711
(6S)-6-butan-2-yl-1-(cyclohexylmethyl)piperazine-2,3-dione
CID 53299342
1-Acetyl-4-(4-methylcyclohexyl)piperazine
CID 784031
2-(4-Methylpiperidin-1-yl)acetamide
CID 3546442
1-(4-Ethylcyclohexyl)-4-piperidinecarboxamide
CID 756180
(6S)-6-butan-2-yl-1-(4-cyclohexylbutyl)piperazine-2,3-dione
CID 53299343
(6R)-6-butyl-1-(cyclohexylmethyl)piperazine-2,3-dione
CID 53299352

Frequently Asked Questions

What is the IUPAC name of 2-[4-(4-methylcyclohexyl)piperazin-1-yl]acetamide?
The IUPAC name of 2-[4-(4-methylcyclohexyl)piperazin-1-yl]acetamide (CID 3048977) is 2-[4-(4-methylcyclohexyl)piperazin-1-yl]acetamide.
What is the SMILES notation for 2-[4-(4-methylcyclohexyl)piperazin-1-yl]acetamide?
The canonical SMILES for 2-[4-(4-methylcyclohexyl)piperazin-1-yl]acetamide is CC1CCC(N2CCN(CC(N)=O)CC2)CC1.
What is the InChIKey of 2-[4-(4-methylcyclohexyl)piperazin-1-yl]acetamide?
The InChIKey is MXJJTLYINYLZTB-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H25N3O/c1-11-2-4-12(5-3-11)16-8-6-15(7-9-16)10-13(14)17/h11-12H,2-10H2,1H3,(H2,14,17).
What are the key properties of 2-[4-(4-methylcyclohexyl)piperazin-1-yl]acetamide?
2-[4-(4-methylcyclohexyl)piperazin-1-yl]acetamide has a molecular weight of 239.36 g/mol, XLogP of 0.67, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[4-(4-methylcyclohexyl)piperazin-1-yl]acetamide is sourced from PubChem (CID 3048977), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).