7-amino-1-[2-(1H-pyrazol-4-yl)piperidin-1-yl]heptan-1-one

C15H26N4O — CID 119888364

IUPAC7-amino-1-[2-(1H-pyrazol-4-yl)piperidin-1-yl]heptan-1-one
SMILESNCCCCCCC(=O)N1CCCCC1c1cn[nH]c1
InChIInChI=1S/C15H26N4O/c16-9-5-2-1-3-8-15(20)19-10-6-4-7-14(19)13-11-17-18-12-13/h11-12,14H,1-10,16H2,(H,17,18)
InChIKeyHWYBCROALHIPAS-UHFFFAOYSA-N
MW278.40 g/mol
LogP2.37
Rot. Bonds7

About 7-amino-1-[2-(1H-pyrazol-4-yl)piperidin-1-yl]heptan-1-one

7-amino-1-[2-(1H-pyrazol-4-yl)piperidin-1-yl]heptan-1-one (PubChem CID 119888364) has the molecular formula C15H26N4O and a molecular weight of 278.40 g/mol. Its IUPAC name is 7-amino-1-[2-(1H-pyrazol-4-yl)piperidin-1-yl]heptan-1-one.

Molecular Properties

Compound Name7-amino-1-[2-(1H-pyrazol-4-yl)piperidin-1-yl]heptan-1-one
PubChem CID119888364
Molecular FormulaC15H26N4O
Molecular Weight278.40 g/mol
Exact Mass278.21
IUPAC Name7-amino-1-[2-(1H-pyrazol-4-yl)piperidin-1-yl]heptan-1-one
SMILESNCCCCCCC(=O)N1CCCCC1c1cn[nH]c1
InChIInChI=1S/C15H26N4O/c16-9-5-2-1-3-8-15(20)19-10-6-4-7-14(19)13-11-17-18-12-13/h11-12,14H,1-10,16H2,(H,17,18)
InChIKeyHWYBCROALHIPAS-UHFFFAOYSA-N
XLogP2.37
TPSA75.01 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds7
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500278.40
LogP ≤ 52.37
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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 7-amino-1-[2-(1H-pyrazol-4-yl)piperidin-1-yl]heptan-1-one?
The IUPAC name of 7-amino-1-[2-(1H-pyrazol-4-yl)piperidin-1-yl]heptan-1-one (CID 119888364) is 7-amino-1-[2-(1H-pyrazol-4-yl)piperidin-1-yl]heptan-1-one.
What is the SMILES notation for 7-amino-1-[2-(1H-pyrazol-4-yl)piperidin-1-yl]heptan-1-one?
The canonical SMILES for 7-amino-1-[2-(1H-pyrazol-4-yl)piperidin-1-yl]heptan-1-one is NCCCCCCC(=O)N1CCCCC1c1cn[nH]c1.
What is the InChIKey of 7-amino-1-[2-(1H-pyrazol-4-yl)piperidin-1-yl]heptan-1-one?
The InChIKey is HWYBCROALHIPAS-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H26N4O/c16-9-5-2-1-3-8-15(20)19-10-6-4-7-14(19)13-11-17-18-12-13/h11-12,14H,1-10,16H2,(H,17,18).
What are the key properties of 7-amino-1-[2-(1H-pyrazol-4-yl)piperidin-1-yl]heptan-1-one?
7-amino-1-[2-(1H-pyrazol-4-yl)piperidin-1-yl]heptan-1-one has a molecular weight of 278.40 g/mol, XLogP of 2.37, 7 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 7-amino-1-[2-(1H-pyrazol-4-yl)piperidin-1-yl]heptan-1-one is sourced from PubChem (CID 119888364), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).