2-(4-aminocyclohexyl)-1-(4-butan-2-ylpiperazin-1-yl)ethanone

C16H31N3O — CID 62783542

IUPAC2-(4-aminocyclohexyl)-1-(4-butan-2-ylpiperazin-1-yl)ethanone
SMILESCCC(C)N1CCN(C(=O)CC2CCC(N)CC2)CC1
InChIInChI=1S/C16H31N3O/c1-3-13(2)18-8-10-19(11-9-18)16(20)12-14-4-6-15(17)7-5-14/h13-15H,3-12,17H2,1-2H3
InChIKeyKFFDTSNCIKCXJD-UHFFFAOYSA-N
MW281.44 g/mol
LogP1.84
Rot. Bonds4

About 2-(4-aminocyclohexyl)-1-(4-butan-2-ylpiperazin-1-yl)ethanone

2-(4-aminocyclohexyl)-1-(4-butan-2-ylpiperazin-1-yl)ethanone (PubChem CID 62783542) has the molecular formula C16H31N3O and a molecular weight of 281.44 g/mol. Its IUPAC name is 2-(4-aminocyclohexyl)-1-(4-butan-2-ylpiperazin-1-yl)ethanone.

Molecular Properties

Compound Name2-(4-aminocyclohexyl)-1-(4-butan-2-ylpiperazin-1-yl)ethanone
PubChem CID62783542
Molecular FormulaC16H31N3O
Molecular Weight281.44 g/mol
Exact Mass281.25
IUPAC Name2-(4-aminocyclohexyl)-1-(4-butan-2-ylpiperazin-1-yl)ethanone
SMILESCCC(C)N1CCN(C(=O)CC2CCC(N)CC2)CC1
InChIInChI=1S/C16H31N3O/c1-3-13(2)18-8-10-19(11-9-18)16(20)12-14-4-6-15(17)7-5-14/h13-15H,3-12,17H2,1-2H3
InChIKeyKFFDTSNCIKCXJD-UHFFFAOYSA-N
XLogP1.84
TPSA49.57 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500281.44
LogP ≤ 51.84
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

2-[4-(2-cyclopropylacetyl)piperazin-1-yl]butanethioamide
CID 63340075
2-(4-aminocyclohexyl)-1-piperidin-1-ylethanone;hydrochloride
CID 165412274
2-[4-(2-cyclopropylacetyl)piperazin-1-yl]-N'-hydroxypropanimidamide
CID 55202553
2-(4-aminocyclohexyl)-1-(4-ethoxypiperidin-1-yl)ethanone
CID 55117063
2-[1-(aminomethyl)cyclobutyl]-1-(4-butan-2-ylpiperazin-1-yl)ethanone
CID 81168994
2-[1-[2-(4-aminocyclohexyl)acetyl]piperidin-4-yl]acetamide
CID 62782565
(4-butan-2-ylpiperazin-1-yl)-(4-ethylpiperidin-1-yl)methanone
CID 176984609
1-[4-(1-aminopentan-3-yl)piperazin-1-yl]-2-cyclobutylethanone
CID 103161385
1-(4-butan-2-ylpiperazin-1-yl)-4-(4-methoxycyclohexyl)butan-1-one
CID 175629703
2-(3-aminocyclohexyl)-1-(4-propan-2-ylpiperazin-1-yl)ethanone
CID 62781702
4-butan-2-ylpiperazine-1-carbonyl chloride
CID 79887170
methyl (2R)-2-[4-(2-cyclohexylacetyl)piperazin-1-yl]propanoate
CID 95292536

Frequently Asked Questions

What is the IUPAC name of 2-(4-aminocyclohexyl)-1-(4-butan-2-ylpiperazin-1-yl)ethanone?
The IUPAC name of 2-(4-aminocyclohexyl)-1-(4-butan-2-ylpiperazin-1-yl)ethanone (CID 62783542) is 2-(4-aminocyclohexyl)-1-(4-butan-2-ylpiperazin-1-yl)ethanone.
What is the SMILES notation for 2-(4-aminocyclohexyl)-1-(4-butan-2-ylpiperazin-1-yl)ethanone?
The canonical SMILES for 2-(4-aminocyclohexyl)-1-(4-butan-2-ylpiperazin-1-yl)ethanone is CCC(C)N1CCN(C(=O)CC2CCC(N)CC2)CC1.
What is the InChIKey of 2-(4-aminocyclohexyl)-1-(4-butan-2-ylpiperazin-1-yl)ethanone?
The InChIKey is KFFDTSNCIKCXJD-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H31N3O/c1-3-13(2)18-8-10-19(11-9-18)16(20)12-14-4-6-15(17)7-5-14/h13-15H,3-12,17H2,1-2H3.
What are the key properties of 2-(4-aminocyclohexyl)-1-(4-butan-2-ylpiperazin-1-yl)ethanone?
2-(4-aminocyclohexyl)-1-(4-butan-2-ylpiperazin-1-yl)ethanone has a molecular weight of 281.44 g/mol, XLogP of 1.84, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(4-aminocyclohexyl)-1-(4-butan-2-ylpiperazin-1-yl)ethanone is sourced from PubChem (CID 62783542), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).