2-amino-1-(4-benzylpiperazin-1-yl)ethanone;2-amino-1-piperidin-1-ylethanone

C20H33N5O2 — CID 143109994

IUPAC2-amino-1-(4-benzylpiperazin-1-yl)ethanone;2-amino-1-piperidin-1-ylethanone
SMILESNCC(=O)N1CCCCC1.NCC(=O)N1CCN(Cc2ccccc2)CC1
InChIInChI=1S/C13H19N3O.C7H14N2O/c14-10-13(17)16-8-6-15(7-9-16)11-12-4-2-1-3-5-12;8-6-7(10)9-4-2-1-3-5-9/h1-5H,6-11,14H2;1-6,8H2
InChIKeyDGGHLUVKXUCKIV-UHFFFAOYSA-N
MW375.52 g/mol
LogP0.25
Rot. Bonds4

About 2-amino-1-(4-benzylpiperazin-1-yl)ethanone;2-amino-1-piperidin-1-ylethanone

2-amino-1-(4-benzylpiperazin-1-yl)ethanone;2-amino-1-piperidin-1-ylethanone (PubChem CID 143109994) has the molecular formula C20H33N5O2 and a molecular weight of 375.52 g/mol. Its IUPAC name is 2-amino-1-(4-benzylpiperazin-1-yl)ethanone;2-amino-1-piperidin-1-ylethanone.

Molecular Properties

Compound Name2-amino-1-(4-benzylpiperazin-1-yl)ethanone;2-amino-1-piperidin-1-ylethanone
PubChem CID143109994
Molecular FormulaC20H33N5O2
Molecular Weight375.52 g/mol
Exact Mass375.26
IUPAC Name2-amino-1-(4-benzylpiperazin-1-yl)ethanone;2-amino-1-piperidin-1-ylethanone
SMILESNCC(=O)N1CCCCC1.NCC(=O)N1CCN(Cc2ccccc2)CC1
InChIInChI=1S/C13H19N3O.C7H14N2O/c14-10-13(17)16-8-6-15(7-9-16)11-12-4-2-1-3-5-12;8-6-7(10)9-4-2-1-3-5-9/h1-5H,6-11,14H2;1-6,8H2
InChIKeyDGGHLUVKXUCKIV-UHFFFAOYSA-N
XLogP0.25
TPSA95.90 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500375.52
LogP ≤ 50.25
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

Analyze 2-amino-1-(4-benzylpiperazin-1-yl)ethanone;2-amino-1-piperidin-1-ylethanone with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

1-(azepan-1-yl)-2-(4-benzylpiperazin-1-yl)ethanone chloride
CID 53350851
2-(azepan-1-yl)-1-(4-benzylpiperazin-1-yl)ethanone
CID 109002010
(4-benzylpiperazin-1-yl)-pyrrolidin-1-ylmethanone
CID 108987856
1,3-bis(4-benzylpiperazin-1-yl)propane-1,3-dione
CID 13023421
2-amino-1-[3-(4-benzylpiperazin-1-yl)piperidin-1-yl]ethanone
CID 84755578
2-(4-benzyl-1,4-diazepan-1-yl)-2-oxoacetic acid
CID 141207482
2-amino-1-[4-[(4-chlorophenyl)methyl]-1,4-diazepan-1-yl]ethanone;dihydrochloride
CID 119838988
1-(4-benzylpiperazin-1-yl)-2-chloroethanone;hydrochloride
CID 16806065
1-(4-benzylpiperazin-1-yl)-2-methylpropan-1-one;methane;2-methyl-1-piperidin-1-ylpropan-1-one
CID 161283045
(1-aminocyclopropyl)-(4-benzyl-1,4-diazepan-1-yl)methanone
CID 119399365
1-(4-benzylpiperazin-1-yl)butan-1-one
CID 874457
(1-aminocyclopropyl)-(4-benzyl-1,4-diazepan-1-yl)methanone;dihydrochloride
CID 119399364

Frequently Asked Questions

What is the IUPAC name of 2-amino-1-(4-benzylpiperazin-1-yl)ethanone;2-amino-1-piperidin-1-ylethanone?
The IUPAC name of 2-amino-1-(4-benzylpiperazin-1-yl)ethanone;2-amino-1-piperidin-1-ylethanone (CID 143109994) is 2-amino-1-(4-benzylpiperazin-1-yl)ethanone;2-amino-1-piperidin-1-ylethanone.
What is the SMILES notation for 2-amino-1-(4-benzylpiperazin-1-yl)ethanone;2-amino-1-piperidin-1-ylethanone?
The canonical SMILES for 2-amino-1-(4-benzylpiperazin-1-yl)ethanone;2-amino-1-piperidin-1-ylethanone is NCC(=O)N1CCCCC1.NCC(=O)N1CCN(Cc2ccccc2)CC1.
What is the InChIKey of 2-amino-1-(4-benzylpiperazin-1-yl)ethanone;2-amino-1-piperidin-1-ylethanone?
The InChIKey is DGGHLUVKXUCKIV-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H19N3O.C7H14N2O/c14-10-13(17)16-8-6-15(7-9-16)11-12-4-2-1-3-5-12;8-6-7(10)9-4-2-1-3-5-9/h1-5H,6-11,14H2;1-6,8H2.
What are the key properties of 2-amino-1-(4-benzylpiperazin-1-yl)ethanone;2-amino-1-piperidin-1-ylethanone?
2-amino-1-(4-benzylpiperazin-1-yl)ethanone;2-amino-1-piperidin-1-ylethanone has a molecular weight of 375.52 g/mol, XLogP of 0.25, 4 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-amino-1-(4-benzylpiperazin-1-yl)ethanone;2-amino-1-piperidin-1-ylethanone is sourced from PubChem (CID 143109994), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).