1-[4-(6-amino-3-pyridinyl)piperazin-1-yl]-2-propoxyethanone

C14H22N4O2 — CID 107937396

IUPAC1-[4-(6-amino-3-pyridinyl)piperazin-1-yl]-2-propoxyethanone
SMILESCCCOCC(=O)N1CCN(c2ccc(N)nc2)CC1
InChIInChI=1S/C14H22N4O2/c1-2-9-20-11-14(19)18-7-5-17(6-8-18)12-3-4-13(15)16-10-12/h3-4,10H,2,5-9,11H2,1H3,(H2,15,16)
InChIKeyCAJQKUSEQFGJRC-UHFFFAOYSA-N
MW278.36 g/mol
LogP0.74
Rot. Bonds5

About 1-[4-(6-amino-3-pyridinyl)piperazin-1-yl]-2-propoxyethanone

1-[4-(6-amino-3-pyridinyl)piperazin-1-yl]-2-propoxyethanone (PubChem CID 107937396) has the molecular formula C14H22N4O2 and a molecular weight of 278.36 g/mol. Its IUPAC name is 1-[4-(6-amino-3-pyridinyl)piperazin-1-yl]-2-propoxyethanone.

Molecular Properties

Compound Name1-[4-(6-amino-3-pyridinyl)piperazin-1-yl]-2-propoxyethanone
PubChem CID107937396
Molecular FormulaC14H22N4O2
Molecular Weight278.36 g/mol
Exact Mass278.17
IUPAC Name1-[4-(6-amino-3-pyridinyl)piperazin-1-yl]-2-propoxyethanone
SMILESCCCOCC(=O)N1CCN(c2ccc(N)nc2)CC1
InChIInChI=1S/C14H22N4O2/c1-2-9-20-11-14(19)18-7-5-17(6-8-18)12-3-4-13(15)16-10-12/h3-4,10H,2,5-9,11H2,1H3,(H2,15,16)
InChIKeyCAJQKUSEQFGJRC-UHFFFAOYSA-N
XLogP0.74
TPSA71.69 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500278.36
LogP ≤ 50.74
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}

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Related Compounds

2-[2-[4-(6-amino-3-pyridinyl)piperazin-1-yl]-2-oxoethoxy]acetic acid
CID 142371904
1-[4-(6-amino-3-pyridinyl)piperazin-1-yl]-2-[(2-methylpropan-2-yl)oxy]ethanone
CID 115949166
9-[4-(6-amino-3-pyridinyl)piperazin-1-yl]-9-oxononanamide
CID 142371873
[4-(6-amino-3-pyridinyl)piperazin-1-yl]-(2,2-dimethylcyclopropyl)methanone
CID 107000234
1-[4-(4-aminophenyl)piperazin-1-yl]-3-(2-propoxyethoxy)propan-1-one
CID 162774631
5-(4-prop-1-en-2-ylpiperazin-1-yl)pyridin-2-amine
CID 176665681
[4-(6-amino-3-pyridinyl)piperazin-1-yl]-phenylmethanone
CID 43461867
[4-(6-amino-3-pyridinyl)piperazin-1-yl]-pyridin-4-ylmethanone
CID 43461901
5-[4-(2-methoxyethyl)piperazin-1-yl]pyridin-2-amine
CID 43461954
[4-(6-amino-3-pyridinyl)piperazin-1-yl]-(4-chlorophenyl)methanone
CID 136573282
[4-(6-amino-3-pyridinyl)piperazin-1-yl]-(2-methylpyrazol-3-yl)methanone
CID 62921478
4-(6-amino-3-pyridinyl)piperazine-1-carbaldehyde;1-(4-methoxyphenyl)butan-1-one
CID 171527850

Frequently Asked Questions

What is the IUPAC name of 1-[4-(6-amino-3-pyridinyl)piperazin-1-yl]-2-propoxyethanone?
The IUPAC name of 1-[4-(6-amino-3-pyridinyl)piperazin-1-yl]-2-propoxyethanone (CID 107937396) is 1-[4-(6-amino-3-pyridinyl)piperazin-1-yl]-2-propoxyethanone.
What is the SMILES notation for 1-[4-(6-amino-3-pyridinyl)piperazin-1-yl]-2-propoxyethanone?
The canonical SMILES for 1-[4-(6-amino-3-pyridinyl)piperazin-1-yl]-2-propoxyethanone is CCCOCC(=O)N1CCN(c2ccc(N)nc2)CC1.
What is the InChIKey of 1-[4-(6-amino-3-pyridinyl)piperazin-1-yl]-2-propoxyethanone?
The InChIKey is CAJQKUSEQFGJRC-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H22N4O2/c1-2-9-20-11-14(19)18-7-5-17(6-8-18)12-3-4-13(15)16-10-12/h3-4,10H,2,5-9,11H2,1H3,(H2,15,16).
What are the key properties of 1-[4-(6-amino-3-pyridinyl)piperazin-1-yl]-2-propoxyethanone?
1-[4-(6-amino-3-pyridinyl)piperazin-1-yl]-2-propoxyethanone has a molecular weight of 278.36 g/mol, XLogP of 0.74, 5 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[4-(6-amino-3-pyridinyl)piperazin-1-yl]-2-propoxyethanone is sourced from PubChem (CID 107937396), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).