2-(aminomethyl)-1-[4-(2-methoxyacetyl)piperazin-1-yl]pentan-1-one

C13H25N3O3 — CID 65227640

IUPAC2-(aminomethyl)-1-[4-(2-methoxyacetyl)piperazin-1-yl]pentan-1-one
SMILESCCCC(CN)C(=O)N1CCN(C(=O)COC)CC1
InChIInChI=1S/C13H25N3O3/c1-3-4-11(9-14)13(18)16-7-5-15(6-8-16)12(17)10-19-2/h11H,3-10,14H2,1-2H3
InChIKeyNANZMWLLBINLJG-UHFFFAOYSA-N
MW271.36 g/mol
LogP-0.32
Rot. Bonds6

About 2-(aminomethyl)-1-[4-(2-methoxyacetyl)piperazin-1-yl]pentan-1-one

2-(aminomethyl)-1-[4-(2-methoxyacetyl)piperazin-1-yl]pentan-1-one (PubChem CID 65227640) has the molecular formula C13H25N3O3 and a molecular weight of 271.36 g/mol. Its IUPAC name is 2-(aminomethyl)-1-[4-(2-methoxyacetyl)piperazin-1-yl]pentan-1-one.

Molecular Properties

Compound Name2-(aminomethyl)-1-[4-(2-methoxyacetyl)piperazin-1-yl]pentan-1-one
PubChem CID65227640
Molecular FormulaC13H25N3O3
Molecular Weight271.36 g/mol
Exact Mass271.19
IUPAC Name2-(aminomethyl)-1-[4-(2-methoxyacetyl)piperazin-1-yl]pentan-1-one
SMILESCCCC(CN)C(=O)N1CCN(C(=O)COC)CC1
InChIInChI=1S/C13H25N3O3/c1-3-4-11(9-14)13(18)16-7-5-15(6-8-16)12(17)10-19-2/h11H,3-10,14H2,1-2H3
InChIKeyNANZMWLLBINLJG-UHFFFAOYSA-N
XLogP-0.32
TPSA75.87 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500271.36
LogP ≤ 5-0.32
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

2-(aminomethyl)-1-(4-butan-2-ylpiperazin-1-yl)pentan-1-one
CID 62773291
2-(aminomethyl)-1-[4-(1-hydroxyethyl)piperidin-1-yl]pentan-1-one
CID 106835724
2-(aminomethyl)-1-[4-(2,2,2-trifluoroethyl)piperazin-1-yl]pentan-1-one
CID 62968051
2-amino-1-[4-(2-methoxyacetyl)piperazin-1-yl]-3-methylbutan-1-one
CID 54872163
1-[4-(1-aminopentan-3-yl)piperazin-1-yl]-2-methoxyethanone
CID 61277957
2-[4-(2-methoxyacetyl)piperazin-1-yl]pentanenitrile
CID 63337476
2-(aminomethyl)-1-(4,4-dimethylazepan-1-yl)pentan-1-one
CID 65281608
2-(aminomethyl)-1-(4-methylazepan-1-yl)pentan-1-one
CID 63622647
N'-hydroxy-2-[4-(2-methoxyacetyl)piperazin-1-yl]pentanimidamide
CID 77012839
1-[4-(3-amino-2-methylpropyl)piperazin-1-yl]-2-propylpentan-1-one
CID 82984066
2-[4-[2-(aminomethyl)pentanoyl]-1,4-diazepan-1-yl]-N,N-dimethylacetamide
CID 65227502
1-[2-(aminomethyl)pentanoyl]-4-propylpiperidine-4-carboxylic acid
CID 65228065

Frequently Asked Questions

What is the IUPAC name of 2-(aminomethyl)-1-[4-(2-methoxyacetyl)piperazin-1-yl]pentan-1-one?
The IUPAC name of 2-(aminomethyl)-1-[4-(2-methoxyacetyl)piperazin-1-yl]pentan-1-one (CID 65227640) is 2-(aminomethyl)-1-[4-(2-methoxyacetyl)piperazin-1-yl]pentan-1-one.
What is the SMILES notation for 2-(aminomethyl)-1-[4-(2-methoxyacetyl)piperazin-1-yl]pentan-1-one?
The canonical SMILES for 2-(aminomethyl)-1-[4-(2-methoxyacetyl)piperazin-1-yl]pentan-1-one is CCCC(CN)C(=O)N1CCN(C(=O)COC)CC1.
What is the InChIKey of 2-(aminomethyl)-1-[4-(2-methoxyacetyl)piperazin-1-yl]pentan-1-one?
The InChIKey is NANZMWLLBINLJG-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H25N3O3/c1-3-4-11(9-14)13(18)16-7-5-15(6-8-16)12(17)10-19-2/h11H,3-10,14H2,1-2H3.
What are the key properties of 2-(aminomethyl)-1-[4-(2-methoxyacetyl)piperazin-1-yl]pentan-1-one?
2-(aminomethyl)-1-[4-(2-methoxyacetyl)piperazin-1-yl]pentan-1-one has a molecular weight of 271.36 g/mol, XLogP of -0.32, 6 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(aminomethyl)-1-[4-(2-methoxyacetyl)piperazin-1-yl]pentan-1-one is sourced from PubChem (CID 65227640), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).