2-(4-aminopiperidin-1-yl)-1-(4-cyclopentylpiperazin-1-yl)ethanone;trihydrochloride

C16H33Cl3N4O — CID 75494461

IUPAC2-(4-aminopiperidin-1-yl)-1-(4-cyclopentylpiperazin-1-yl)ethanone;trihydrochloride
SMILESCl.Cl.Cl.NC1CCN(CC(=O)N2CCN(C3CCCC3)CC2)CC1
InChIInChI=1S/C16H30N4O.3ClH/c17-14-5-7-18(8-6-14)13-16(21)20-11-9-19(10-12-20)15-3-1-2-4-15;;;/h14-15H,1-13,17H2;3*1H
InChIKeyFWDWICZUWKZSGI-UHFFFAOYSA-N
MW403.83 g/mol
LogP1.76
Rot. Bonds3

About 2-(4-aminopiperidin-1-yl)-1-(4-cyclopentylpiperazin-1-yl)ethanone;trihydrochloride

2-(4-aminopiperidin-1-yl)-1-(4-cyclopentylpiperazin-1-yl)ethanone;trihydrochloride (PubChem CID 75494461) has the molecular formula C16H33Cl3N4O and a molecular weight of 403.83 g/mol. Its IUPAC name is 2-(4-aminopiperidin-1-yl)-1-(4-cyclopentylpiperazin-1-yl)ethanone;trihydrochloride.

Molecular Properties

Compound Name2-(4-aminopiperidin-1-yl)-1-(4-cyclopentylpiperazin-1-yl)ethanone;trihydrochloride
PubChem CID75494461
Molecular FormulaC16H33Cl3N4O
Molecular Weight403.83 g/mol
Exact Mass402.17
IUPAC Name2-(4-aminopiperidin-1-yl)-1-(4-cyclopentylpiperazin-1-yl)ethanone;trihydrochloride
SMILESCl.Cl.Cl.NC1CCN(CC(=O)N2CCN(C3CCCC3)CC2)CC1
InChIInChI=1S/C16H30N4O.3ClH/c17-14-5-7-18(8-6-14)13-16(21)20-11-9-19(10-12-20)15-3-1-2-4-15;;;/h14-15H,1-13,17H2;3*1H
InChIKeyFWDWICZUWKZSGI-UHFFFAOYSA-N
XLogP1.76
TPSA52.81 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500403.83
LogP ≤ 51.76
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

2-[(3S)-3-aminopyrrolidin-1-yl]-1-[4-(1-methylpiperidin-4-yl)piperazin-1-yl]ethanone
CID 68646735
2-(4-aminopiperidin-1-yl)-1-morpholin-4-ylethanone;dihydrochloride
CID 56773516
N-[1-[2-(4-cyclobutylpiperazin-1-yl)-2-oxoethyl]piperidin-4-yl]-2-cyclohexylacetamide
CID 57443186
N-[1-[2-(4-cyclobutylpiperazin-1-yl)-2-oxoethyl]piperidin-4-yl]cycloheptanecarboxamide
CID 57443202
2-(4-cyclopentylpiperazin-1-yl)-1-(1,4-diazepan-1-yl)ethanone
CID 62370097
2-(4-aminopiperidin-1-yl)-1-(1-oxo-1,4-thiazinan-4-yl)ethanone
CID 79328558
2-[(3S)-3-aminopyrrolidin-1-yl]-1-piperidin-1-ylethanone;hydrochloride
CID 119933833
methyl 2-[4-[2-(4-aminopiperidin-1-yl)acetyl]piperazin-1-yl]acetate
CID 79323233
2-[(3R)-3-aminopyrrolidin-1-yl]-1-pyrrolidin-1-ylethanone
CID 94340668
2-piperazin-1-yl-1-(4-piperidin-4-ylpiperazin-1-yl)ethanone
CID 170084161
2-(4-methylpiperidin-1-yl)-1-[4-(1-methylpiperidin-4-yl)piperazin-1-yl]ethanone
CID 171586521
1-[2-(4-cyclobutyl-1,4-diazepan-1-yl)-2-oxoethyl]azetidine-3-carboxamide
CID 123313839

Frequently Asked Questions

What is the IUPAC name of 2-(4-aminopiperidin-1-yl)-1-(4-cyclopentylpiperazin-1-yl)ethanone;trihydrochloride?
The IUPAC name of 2-(4-aminopiperidin-1-yl)-1-(4-cyclopentylpiperazin-1-yl)ethanone;trihydrochloride (CID 75494461) is 2-(4-aminopiperidin-1-yl)-1-(4-cyclopentylpiperazin-1-yl)ethanone;trihydrochloride.
What is the SMILES notation for 2-(4-aminopiperidin-1-yl)-1-(4-cyclopentylpiperazin-1-yl)ethanone;trihydrochloride?
The canonical SMILES for 2-(4-aminopiperidin-1-yl)-1-(4-cyclopentylpiperazin-1-yl)ethanone;trihydrochloride is Cl.Cl.Cl.NC1CCN(CC(=O)N2CCN(C3CCCC3)CC2)CC1.
What is the InChIKey of 2-(4-aminopiperidin-1-yl)-1-(4-cyclopentylpiperazin-1-yl)ethanone;trihydrochloride?
The InChIKey is FWDWICZUWKZSGI-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H30N4O.3ClH/c17-14-5-7-18(8-6-14)13-16(21)20-11-9-19(10-12-20)15-3-1-2-4-15;;;/h14-15H,1-13,17H2;3*1H.
What are the key properties of 2-(4-aminopiperidin-1-yl)-1-(4-cyclopentylpiperazin-1-yl)ethanone;trihydrochloride?
2-(4-aminopiperidin-1-yl)-1-(4-cyclopentylpiperazin-1-yl)ethanone;trihydrochloride has a molecular weight of 403.83 g/mol, XLogP of 1.76, 3 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(4-aminopiperidin-1-yl)-1-(4-cyclopentylpiperazin-1-yl)ethanone;trihydrochloride is sourced from PubChem (CID 75494461), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).