1-(4-acetylpiperazin-1-yl)-2-(1-aminocyclohexyl)ethanone

C14H25N3O2 — CID 64683862

IUPAC1-(4-acetylpiperazin-1-yl)-2-(1-aminocyclohexyl)ethanone
SMILESCC(=O)N1CCN(C(=O)CC2(N)CCCCC2)CC1
InChIInChI=1S/C14H25N3O2/c1-12(18)16-7-9-17(10-8-16)13(19)11-14(15)5-3-2-4-6-14/h2-11,15H2,1H3
InChIKeyVLOPCXVFVJWPAG-UHFFFAOYSA-N
MW267.37 g/mol
LogP0.73
Rot. Bonds2

About 1-(4-acetylpiperazin-1-yl)-2-(1-aminocyclohexyl)ethanone

1-(4-acetylpiperazin-1-yl)-2-(1-aminocyclohexyl)ethanone (PubChem CID 64683862) has the molecular formula C14H25N3O2 and a molecular weight of 267.37 g/mol. Its IUPAC name is 1-(4-acetylpiperazin-1-yl)-2-(1-aminocyclohexyl)ethanone.

Molecular Properties

Compound Name1-(4-acetylpiperazin-1-yl)-2-(1-aminocyclohexyl)ethanone
PubChem CID64683862
Molecular FormulaC14H25N3O2
Molecular Weight267.37 g/mol
Exact Mass267.19
IUPAC Name1-(4-acetylpiperazin-1-yl)-2-(1-aminocyclohexyl)ethanone
SMILESCC(=O)N1CCN(C(=O)CC2(N)CCCCC2)CC1
InChIInChI=1S/C14H25N3O2/c1-12(18)16-7-9-17(10-8-16)13(19)11-14(15)5-3-2-4-6-14/h2-11,15H2,1H3
InChIKeyVLOPCXVFVJWPAG-UHFFFAOYSA-N
XLogP0.73
TPSA66.64 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500267.37
LogP ≤ 50.73
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

1-(4-acetyl-1,4-diazepan-1-yl)-2-(1-aminocyclopentyl)ethanone
CID 64679240
2-(1-aminocyclohexyl)-1-(4-methyl-1,4-diazepan-1-yl)ethanone
CID 64685550
2-(1-aminocyclobutyl)-1-(azepan-1-yl)ethanone
CID 79851408
2-(1-aminocyclobutyl)-1-(azocan-1-yl)ethanone;hydrochloride
CID 91659456
2-(1-aminocyclohexyl)-1-(4-propan-2-ylpiperidin-1-yl)ethanone
CID 103495472
2-(1-aminocyclopentyl)-1-(1-oxo-1,4-thiazinan-4-yl)ethanone
CID 64677411
2-(1-aminocyclopentyl)-1-(4-methoxypiperidin-1-yl)ethanone
CID 64683977
3-[4-[2-(1-aminocyclopentyl)acetyl]piperazin-1-yl]propanoic acid
CID 64677360
4-[2-(1-aminocyclobutyl)acetyl]-N,N-diethylpiperazine-1-carboxamide
CID 79844053
2-(1-aminocyclobutyl)-1-morpholin-4-ylethanone
CID 79851869
2-(1-aminocyclopentyl)-1-(1,1-dioxo-1,4-thiazepan-4-yl)ethanone
CID 114083427
2-(1-aminocyclopentyl)-1-(4-propylpiperidin-1-yl)ethanone
CID 64677432

Frequently Asked Questions

What is the IUPAC name of 1-(4-acetylpiperazin-1-yl)-2-(1-aminocyclohexyl)ethanone?
The IUPAC name of 1-(4-acetylpiperazin-1-yl)-2-(1-aminocyclohexyl)ethanone (CID 64683862) is 1-(4-acetylpiperazin-1-yl)-2-(1-aminocyclohexyl)ethanone.
What is the SMILES notation for 1-(4-acetylpiperazin-1-yl)-2-(1-aminocyclohexyl)ethanone?
The canonical SMILES for 1-(4-acetylpiperazin-1-yl)-2-(1-aminocyclohexyl)ethanone is CC(=O)N1CCN(C(=O)CC2(N)CCCCC2)CC1.
What is the InChIKey of 1-(4-acetylpiperazin-1-yl)-2-(1-aminocyclohexyl)ethanone?
The InChIKey is VLOPCXVFVJWPAG-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H25N3O2/c1-12(18)16-7-9-17(10-8-16)13(19)11-14(15)5-3-2-4-6-14/h2-11,15H2,1H3.
What are the key properties of 1-(4-acetylpiperazin-1-yl)-2-(1-aminocyclohexyl)ethanone?
1-(4-acetylpiperazin-1-yl)-2-(1-aminocyclohexyl)ethanone has a molecular weight of 267.37 g/mol, XLogP of 0.73, 2 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(4-acetylpiperazin-1-yl)-2-(1-aminocyclohexyl)ethanone is sourced from PubChem (CID 64683862), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).