3-(4-aminocyclohexyl)-1-(4-ethylpiperazin-1-yl)propan-1-one

C15H29N3O — CID 55116653

IUPAC3-(4-aminocyclohexyl)-1-(4-ethylpiperazin-1-yl)propan-1-one
SMILESCCN1CCN(C(=O)CCC2CCC(N)CC2)CC1
InChIInChI=1S/C15H29N3O/c1-2-17-9-11-18(12-10-17)15(19)8-5-13-3-6-14(16)7-4-13/h13-14H,2-12,16H2,1H3
InChIKeyLSRKRPQZSOMRNY-UHFFFAOYSA-N
MW267.42 g/mol
LogP1.45
Rot. Bonds4

About 3-(4-aminocyclohexyl)-1-(4-ethylpiperazin-1-yl)propan-1-one

3-(4-aminocyclohexyl)-1-(4-ethylpiperazin-1-yl)propan-1-one (PubChem CID 55116653) has the molecular formula C15H29N3O and a molecular weight of 267.42 g/mol. Its IUPAC name is 3-(4-aminocyclohexyl)-1-(4-ethylpiperazin-1-yl)propan-1-one.

Molecular Properties

Compound Name3-(4-aminocyclohexyl)-1-(4-ethylpiperazin-1-yl)propan-1-one
PubChem CID55116653
Molecular FormulaC15H29N3O
Molecular Weight267.42 g/mol
Exact Mass267.23
IUPAC Name3-(4-aminocyclohexyl)-1-(4-ethylpiperazin-1-yl)propan-1-one
SMILESCCN1CCN(C(=O)CCC2CCC(N)CC2)CC1
InChIInChI=1S/C15H29N3O/c1-2-17-9-11-18(12-10-17)15(19)8-5-13-3-6-14(16)7-4-13/h13-14H,2-12,16H2,1H3
InChIKeyLSRKRPQZSOMRNY-UHFFFAOYSA-N
XLogP1.45
TPSA49.57 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500267.42
LogP ≤ 51.45
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

1-[4-[3-(4-ethylpiperazin-1-yl)-3-oxopropyl]piperidin-1-yl]-3-methylbut-2-en-1-one
CID 25280992
3-(4-aminocyclohexyl)-1-(4-methoxypiperidin-1-yl)propan-1-one
CID 62781510
3-(4-aminocyclohexyl)-N-(1-ethylpiperidin-4-yl)-N-methylpropanamide
CID 62782861
1-(4-ethylpiperazin-1-yl)-3-[1-(oxolane-3-carbonyl)piperidin-4-yl]propan-1-one
CID 45182196
2-[4-(aminomethyl)cyclohexyl]-1-(4-ethylpiperazin-1-yl)ethanone
CID 63613214
3-(4-aminocyclohexyl)-1-(2-ethylmorpholin-4-yl)propan-1-one
CID 55116609
2-cyclopropyl-1-(4-ethyl-1,4-diazepan-1-yl)ethanone
CID 91255593
1-[4-[2-(4-acetylpiperazin-1-yl)-2-oxoethyl]piperazin-1-yl]-3-cyclopentylpropan-1-one
CID 128927567
3-cyclopentyl-1-[4-(3-cyclopentylpropanoyl)-1,4-diazepan-1-yl]propan-1-one
CID 5202328
3-(4-aminocyclohexyl)-1-(8-oxa-3-azabicyclo[3.2.1]octan-3-yl)propan-1-one
CID 66370717
1-[3-(4-aminocyclohexyl)propanoyl]-1,4-diazepan-5-one
CID 63002982
4-(3-cyclohexylpropanoyl)-N,N-diethylpiperazine-1-carboxamide
CID 108569569

Frequently Asked Questions

What is the IUPAC name of 3-(4-aminocyclohexyl)-1-(4-ethylpiperazin-1-yl)propan-1-one?
The IUPAC name of 3-(4-aminocyclohexyl)-1-(4-ethylpiperazin-1-yl)propan-1-one (CID 55116653) is 3-(4-aminocyclohexyl)-1-(4-ethylpiperazin-1-yl)propan-1-one.
What is the SMILES notation for 3-(4-aminocyclohexyl)-1-(4-ethylpiperazin-1-yl)propan-1-one?
The canonical SMILES for 3-(4-aminocyclohexyl)-1-(4-ethylpiperazin-1-yl)propan-1-one is CCN1CCN(C(=O)CCC2CCC(N)CC2)CC1.
What is the InChIKey of 3-(4-aminocyclohexyl)-1-(4-ethylpiperazin-1-yl)propan-1-one?
The InChIKey is LSRKRPQZSOMRNY-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H29N3O/c1-2-17-9-11-18(12-10-17)15(19)8-5-13-3-6-14(16)7-4-13/h13-14H,2-12,16H2,1H3.
What are the key properties of 3-(4-aminocyclohexyl)-1-(4-ethylpiperazin-1-yl)propan-1-one?
3-(4-aminocyclohexyl)-1-(4-ethylpiperazin-1-yl)propan-1-one has a molecular weight of 267.42 g/mol, XLogP of 1.45, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(4-aminocyclohexyl)-1-(4-ethylpiperazin-1-yl)propan-1-one is sourced from PubChem (CID 55116653), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).