1-(4-amino-3-pyridinyl)-2-piperidin-4-yloxyethanone

C12H17N3O2 — CID 116570980

IUPAC1-(4-amino-3-pyridinyl)-2-piperidin-4-yloxyethanone
SMILESNc1ccncc1C(=O)COC1CCNCC1
InChIInChI=1S/C12H17N3O2/c13-11-3-6-15-7-10(11)12(16)8-17-9-1-4-14-5-2-9/h3,6-7,9,14H,1-2,4-5,8H2,(H2,13,15)
InChIKeyWRKISCSJSWTLNN-UHFFFAOYSA-N
MW235.29 g/mol
LogP0.62
Rot. Bonds4

About 1-(4-amino-3-pyridinyl)-2-piperidin-4-yloxyethanone

1-(4-amino-3-pyridinyl)-2-piperidin-4-yloxyethanone (PubChem CID 116570980) has the molecular formula C12H17N3O2 and a molecular weight of 235.29 g/mol. Its IUPAC name is 1-(4-amino-3-pyridinyl)-2-piperidin-4-yloxyethanone.

Molecular Properties

Compound Name1-(4-amino-3-pyridinyl)-2-piperidin-4-yloxyethanone
PubChem CID116570980
Molecular FormulaC12H17N3O2
Molecular Weight235.29 g/mol
Exact Mass235.13
IUPAC Name1-(4-amino-3-pyridinyl)-2-piperidin-4-yloxyethanone
SMILESNc1ccncc1C(=O)COC1CCNCC1
InChIInChI=1S/C12H17N3O2/c13-11-3-6-15-7-10(11)12(16)8-17-9-1-4-14-5-2-9/h3,6-7,9,14H,1-2,4-5,8H2,(H2,13,15)
InChIKeyWRKISCSJSWTLNN-UHFFFAOYSA-N
XLogP0.62
TPSA77.24 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500235.29
LogP ≤ 50.62
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 1-(4-amino-3-pyridinyl)-2-piperidin-4-yloxyethanone?
The IUPAC name of 1-(4-amino-3-pyridinyl)-2-piperidin-4-yloxyethanone (CID 116570980) is 1-(4-amino-3-pyridinyl)-2-piperidin-4-yloxyethanone.
What is the SMILES notation for 1-(4-amino-3-pyridinyl)-2-piperidin-4-yloxyethanone?
The canonical SMILES for 1-(4-amino-3-pyridinyl)-2-piperidin-4-yloxyethanone is Nc1ccncc1C(=O)COC1CCNCC1.
What is the InChIKey of 1-(4-amino-3-pyridinyl)-2-piperidin-4-yloxyethanone?
The InChIKey is WRKISCSJSWTLNN-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H17N3O2/c13-11-3-6-15-7-10(11)12(16)8-17-9-1-4-14-5-2-9/h3,6-7,9,14H,1-2,4-5,8H2,(H2,13,15).
What are the key properties of 1-(4-amino-3-pyridinyl)-2-piperidin-4-yloxyethanone?
1-(4-amino-3-pyridinyl)-2-piperidin-4-yloxyethanone has a molecular weight of 235.29 g/mol, XLogP of 0.62, 4 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(4-amino-3-pyridinyl)-2-piperidin-4-yloxyethanone is sourced from PubChem (CID 116570980), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).