6-amino-1-(4-pyrazol-1-ylpiperidin-1-yl)hexan-1-one

C14H24N4O — CID 110482610

IUPAC6-amino-1-(4-pyrazol-1-ylpiperidin-1-yl)hexan-1-one
SMILESNCCCCCC(=O)N1CCC(n2cccn2)CC1
InChIInChI=1S/C14H24N4O/c15-8-3-1-2-5-14(19)17-11-6-13(7-12-17)18-10-4-9-16-18/h4,9-10,13H,1-3,5-8,11-12,15H2
InChIKeyYZOFXGUTRULZOP-UHFFFAOYSA-N
MW264.37 g/mol
LogP1.57
Rot. Bonds6

About 6-amino-1-(4-pyrazol-1-ylpiperidin-1-yl)hexan-1-one

6-amino-1-(4-pyrazol-1-ylpiperidin-1-yl)hexan-1-one (PubChem CID 110482610) has the molecular formula C14H24N4O and a molecular weight of 264.37 g/mol. Its IUPAC name is 6-amino-1-(4-pyrazol-1-ylpiperidin-1-yl)hexan-1-one.

Molecular Properties

Compound Name6-amino-1-(4-pyrazol-1-ylpiperidin-1-yl)hexan-1-one
PubChem CID110482610
Molecular FormulaC14H24N4O
Molecular Weight264.37 g/mol
Exact Mass264.20
IUPAC Name6-amino-1-(4-pyrazol-1-ylpiperidin-1-yl)hexan-1-one
SMILESNCCCCCC(=O)N1CCC(n2cccn2)CC1
InChIInChI=1S/C14H24N4O/c15-8-3-1-2-5-14(19)17-11-6-13(7-12-17)18-10-4-9-16-18/h4,9-10,13H,1-3,5-8,11-12,15H2
InChIKeyYZOFXGUTRULZOP-UHFFFAOYSA-N
XLogP1.57
TPSA64.15 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500264.37
LogP ≤ 51.57
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of 6-amino-1-(4-pyrazol-1-ylpiperidin-1-yl)hexan-1-one?
The IUPAC name of 6-amino-1-(4-pyrazol-1-ylpiperidin-1-yl)hexan-1-one (CID 110482610) is 6-amino-1-(4-pyrazol-1-ylpiperidin-1-yl)hexan-1-one.
What is the SMILES notation for 6-amino-1-(4-pyrazol-1-ylpiperidin-1-yl)hexan-1-one?
The canonical SMILES for 6-amino-1-(4-pyrazol-1-ylpiperidin-1-yl)hexan-1-one is NCCCCCC(=O)N1CCC(n2cccn2)CC1.
What is the InChIKey of 6-amino-1-(4-pyrazol-1-ylpiperidin-1-yl)hexan-1-one?
The InChIKey is YZOFXGUTRULZOP-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H24N4O/c15-8-3-1-2-5-14(19)17-11-6-13(7-12-17)18-10-4-9-16-18/h4,9-10,13H,1-3,5-8,11-12,15H2.
What are the key properties of 6-amino-1-(4-pyrazol-1-ylpiperidin-1-yl)hexan-1-one?
6-amino-1-(4-pyrazol-1-ylpiperidin-1-yl)hexan-1-one has a molecular weight of 264.37 g/mol, XLogP of 1.57, 6 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 6-amino-1-(4-pyrazol-1-ylpiperidin-1-yl)hexan-1-one is sourced from PubChem (CID 110482610), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).