(2S)-2-amino-1-(4-pyrazol-1-ylpiperidin-1-yl)hexan-1-one

C14H24N4O — CID 97239186

IUPAC(2S)-2-amino-1-(4-pyrazol-1-ylpiperidin-1-yl)hexan-1-one
SMILESCCCC[C@H](N)C(=O)N1CCC(n2cccn2)CC1
InChIInChI=1S/C14H24N4O/c1-2-3-5-13(15)14(19)17-10-6-12(7-11-17)18-9-4-8-16-18/h4,8-9,12-13H,2-3,5-7,10-11,15H2,1H3/t13-/m0/s1
InChIKeyFVBCUCPGIQUAOG-ZDUSSCGKSA-N
MW264.37 g/mol
LogP1.56
Rot. Bonds5

About (2S)-2-amino-1-(4-pyrazol-1-ylpiperidin-1-yl)hexan-1-one

(2S)-2-amino-1-(4-pyrazol-1-ylpiperidin-1-yl)hexan-1-one (PubChem CID 97239186) has the molecular formula C14H24N4O and a molecular weight of 264.37 g/mol. Its IUPAC name is (2S)-2-amino-1-(4-pyrazol-1-ylpiperidin-1-yl)hexan-1-one.

Molecular Properties

Compound Name(2S)-2-amino-1-(4-pyrazol-1-ylpiperidin-1-yl)hexan-1-one
PubChem CID97239186
Molecular FormulaC14H24N4O
Molecular Weight264.37 g/mol
Exact Mass264.20
IUPAC Name(2S)-2-amino-1-(4-pyrazol-1-ylpiperidin-1-yl)hexan-1-one
SMILESCCCC[C@H](N)C(=O)N1CCC(n2cccn2)CC1
InChIInChI=1S/C14H24N4O/c1-2-3-5-13(15)14(19)17-10-6-12(7-11-17)18-9-4-8-16-18/h4,8-9,12-13H,2-3,5-7,10-11,15H2,1H3/t13-/m0/s1
InChIKeyFVBCUCPGIQUAOG-ZDUSSCGKSA-N
XLogP1.56
TPSA64.15 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500264.37
LogP ≤ 51.56
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Analyze (2S)-2-amino-1-(4-pyrazol-1-ylpiperidin-1-yl)hexan-1-one with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of (2S)-2-amino-1-(4-pyrazol-1-ylpiperidin-1-yl)hexan-1-one?
The IUPAC name of (2S)-2-amino-1-(4-pyrazol-1-ylpiperidin-1-yl)hexan-1-one (CID 97239186) is (2S)-2-amino-1-(4-pyrazol-1-ylpiperidin-1-yl)hexan-1-one.
What is the SMILES notation for (2S)-2-amino-1-(4-pyrazol-1-ylpiperidin-1-yl)hexan-1-one?
The canonical SMILES for (2S)-2-amino-1-(4-pyrazol-1-ylpiperidin-1-yl)hexan-1-one is CCCC[C@H](N)C(=O)N1CCC(n2cccn2)CC1.
What is the InChIKey of (2S)-2-amino-1-(4-pyrazol-1-ylpiperidin-1-yl)hexan-1-one?
The InChIKey is FVBCUCPGIQUAOG-ZDUSSCGKSA-N. The full InChI is InChI=1S/C14H24N4O/c1-2-3-5-13(15)14(19)17-10-6-12(7-11-17)18-9-4-8-16-18/h4,8-9,12-13H,2-3,5-7,10-11,15H2,1H3/t13-/m0/s1.
What are the key properties of (2S)-2-amino-1-(4-pyrazol-1-ylpiperidin-1-yl)hexan-1-one?
(2S)-2-amino-1-(4-pyrazol-1-ylpiperidin-1-yl)hexan-1-one has a molecular weight of 264.37 g/mol, XLogP of 1.56, 5 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (2S)-2-amino-1-(4-pyrazol-1-ylpiperidin-1-yl)hexan-1-one is sourced from PubChem (CID 97239186), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).