1-[4-(2-aminoacetyl)piperazin-1-yl]-2-cyclohexylethanone

C14H25N3O2 — CID 119313911

IUPAC1-[4-(2-aminoacetyl)piperazin-1-yl]-2-cyclohexylethanone
SMILESNCC(=O)N1CCN(C(=O)CC2CCCCC2)CC1
InChIInChI=1S/C14H25N3O2/c15-11-14(19)17-8-6-16(7-9-17)13(18)10-12-4-2-1-3-5-12/h12H,1-11,15H2
InChIKeyQFTYYTOQIFHFAA-UHFFFAOYSA-N
MW267.37 g/mol
LogP0.59
Rot. Bonds3

About 1-[4-(2-aminoacetyl)piperazin-1-yl]-2-cyclohexylethanone

1-[4-(2-aminoacetyl)piperazin-1-yl]-2-cyclohexylethanone (PubChem CID 119313911) has the molecular formula C14H25N3O2 and a molecular weight of 267.37 g/mol. Its IUPAC name is 1-[4-(2-aminoacetyl)piperazin-1-yl]-2-cyclohexylethanone.

Molecular Properties

Compound Name1-[4-(2-aminoacetyl)piperazin-1-yl]-2-cyclohexylethanone
PubChem CID119313911
Molecular FormulaC14H25N3O2
Molecular Weight267.37 g/mol
Exact Mass267.19
IUPAC Name1-[4-(2-aminoacetyl)piperazin-1-yl]-2-cyclohexylethanone
SMILESNCC(=O)N1CCN(C(=O)CC2CCCCC2)CC1
InChIInChI=1S/C14H25N3O2/c15-11-14(19)17-8-6-16(7-9-17)13(18)10-12-4-2-1-3-5-12/h12H,1-11,15H2
InChIKeyQFTYYTOQIFHFAA-UHFFFAOYSA-N
XLogP0.59
TPSA66.64 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500267.37
LogP ≤ 50.59
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

1-[4-(aminomethyl)piperidin-1-yl]-2-cycloheptylethanone;hydrochloride
CID 119423614
4-(2-cyclopentylacetyl)piperazine-1-carbaldehyde
CID 110850251
2-amino-1-[4-(cyclohexylmethyl)-1,4-diazepan-1-yl]ethanone
CID 119859709
2-cyclohexyl-1-[4-[2-(cyclopropylmethylamino)acetyl]piperazin-1-yl]ethanone
CID 119766987
1-(2-cyclohexylacetyl)piperidine-4-carboxylic acid
CID 43183394
1-[4-(cyclobutanecarbonyl)piperazin-1-yl]-2-cyclopentylethanone
CID 39997538
1-[3-(aminomethyl)pyrrolidin-1-yl]-2-cyclohexylethanone;hydrochloride
CID 119260296
2-cyclohexyl-1-[4-[2-(1-hydroxycyclopentyl)acetyl]piperazin-1-yl]ethanone
CID 111537735
2-cyclobutyl-1-(4-methylpiperazin-1-yl)ethanone
CID 103706244
2-cyclohexyl-1-(4-propan-2-ylpiperidin-1-yl)ethanone
CID 155469719
1-[4-(azepane-1-carbonyl)piperidin-1-yl]-2-cyclohexylethanone
CID 134029886
1-[4-[(2S,5R)-5-(aminomethyl)oxolane-2-carbonyl]piperazin-1-yl]-2-cyclohexylethanone
CID 120791454

Frequently Asked Questions

What is the IUPAC name of 1-[4-(2-aminoacetyl)piperazin-1-yl]-2-cyclohexylethanone?
The IUPAC name of 1-[4-(2-aminoacetyl)piperazin-1-yl]-2-cyclohexylethanone (CID 119313911) is 1-[4-(2-aminoacetyl)piperazin-1-yl]-2-cyclohexylethanone.
What is the SMILES notation for 1-[4-(2-aminoacetyl)piperazin-1-yl]-2-cyclohexylethanone?
The canonical SMILES for 1-[4-(2-aminoacetyl)piperazin-1-yl]-2-cyclohexylethanone is NCC(=O)N1CCN(C(=O)CC2CCCCC2)CC1.
What is the InChIKey of 1-[4-(2-aminoacetyl)piperazin-1-yl]-2-cyclohexylethanone?
The InChIKey is QFTYYTOQIFHFAA-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H25N3O2/c15-11-14(19)17-8-6-16(7-9-17)13(18)10-12-4-2-1-3-5-12/h12H,1-11,15H2.
What are the key properties of 1-[4-(2-aminoacetyl)piperazin-1-yl]-2-cyclohexylethanone?
1-[4-(2-aminoacetyl)piperazin-1-yl]-2-cyclohexylethanone has a molecular weight of 267.37 g/mol, XLogP of 0.59, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[4-(2-aminoacetyl)piperazin-1-yl]-2-cyclohexylethanone is sourced from PubChem (CID 119313911), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).