[6-[(3S)-3-[3-(3-chlorophenyl)-1,2,4-oxadiazol-5-yl]piperidin-1-yl]-6-oxohexyl]azanium

C19H26ClN4O2+ — CID 7289117

IUPAC[6-[(3S)-3-[3-(3-chlorophenyl)-1,2,4-oxadiazol-5-yl]piperidin-1-yl]-6-oxohexyl]azanium
SMILES[NH3+]CCCCCC(=O)N1CCC[C@H](c2nc(-c3cccc(Cl)c3)no2)C1
InChIInChI=1S/C19H25ClN4O2/c20-16-8-4-6-14(12-16)18-22-19(26-23-18)15-7-5-11-24(13-15)17(25)9-2-1-3-10-21/h4,6,8,12,15H,1-3,5,7,9-11,13,21H2/p+1/t15-/m0/s1
InChIKeyCJTYGAXODGMJEO-HNNXBMFYSA-O
MW377.90 g/mol
LogP2.90
Rot. Bonds7

About [6-[(3S)-3-[3-(3-chlorophenyl)-1,2,4-oxadiazol-5-yl]piperidin-1-yl]-6-oxohexyl]azanium

[6-[(3S)-3-[3-(3-chlorophenyl)-1,2,4-oxadiazol-5-yl]piperidin-1-yl]-6-oxohexyl]azanium (PubChem CID 7289117) has the molecular formula C19H26ClN4O2+ and a molecular weight of 377.90 g/mol. Its IUPAC name is [6-[(3S)-3-[3-(3-chlorophenyl)-1,2,4-oxadiazol-5-yl]piperidin-1-yl]-6-oxohexyl]azanium.

Molecular Properties

Compound Name[6-[(3S)-3-[3-(3-chlorophenyl)-1,2,4-oxadiazol-5-yl]piperidin-1-yl]-6-oxohexyl]azanium
PubChem CID7289117
Molecular FormulaC19H26ClN4O2+
Molecular Weight377.90 g/mol
Exact Mass377.17
IUPAC Name[6-[(3S)-3-[3-(3-chlorophenyl)-1,2,4-oxadiazol-5-yl]piperidin-1-yl]-6-oxohexyl]azanium
SMILES[NH3+]CCCCCC(=O)N1CCC[C@H](c2nc(-c3cccc(Cl)c3)no2)C1
InChIInChI=1S/C19H25ClN4O2/c20-16-8-4-6-14(12-16)18-22-19(26-23-18)15-7-5-11-24(13-15)17(25)9-2-1-3-10-21/h4,6,8,12,15H,1-3,5,7,9-11,13,21H2/p+1/t15-/m0/s1
InChIKeyCJTYGAXODGMJEO-HNNXBMFYSA-O
XLogP2.90
TPSA86.87 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500377.90
LogP ≤ 52.90
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

Analyze [6-[(3S)-3-[3-(3-chlorophenyl)-1,2,4-oxadiazol-5-yl]piperidin-1-yl]-6-oxohexyl]azanium with MolForge

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

Launch Full Analysis

Related Compounds

1-[4-[3-(3-chlorophenyl)-1,2,4-oxadiazol-5-yl]piperidin-1-yl]octan-1-one
CID 3589573
1-[3-[3-(3-methylphenyl)-1,2,4-oxadiazol-5-yl]piperidin-1-yl]heptan-1-one
CID 42760296
N-[2-[3-[3-(3-chlorophenyl)-1,2,4-oxadiazol-5-yl]piperidin-1-yl]-2-oxoethyl]acetamide
CID 70313533
[(3S)-3-[3-(3-chlorophenyl)-1,2,4-oxadiazol-5-yl]piperidin-1-yl]-cyclopropylmethanone
CID 7216459
1-[3-[3-(3-methylphenyl)-1,2,4-oxadiazol-5-yl]piperidin-1-yl]hexan-1-one
CID 42760280
6-amino-1-[(3R)-3-[3-(4-chlorophenyl)-1,2,4-oxadiazol-5-yl]piperidin-1-yl]hexan-1-one
CID 7440074
6-amino-1-[3-[3-(3-methylphenyl)-1,2,4-oxadiazol-5-yl]piperidin-1-yl]hexan-1-one
CID 3334833
[(3S)-3-[3-(3-chlorophenyl)-1,2,4-oxadiazol-5-yl]piperidin-1-yl]-cyclobutylmethanone
CID 812500
1-[(3S)-3-(3-phenyl-1,2,4-oxadiazol-5-yl)piperidin-1-yl]heptan-1-one
CID 7351261
1-[3-[3-(3-chlorophenyl)-1,2,4-oxadiazol-5-yl]azetidin-1-yl]butan-1-one
CID 121095144
1-[3-(3-phenyl-1,2,4-oxadiazol-5-yl)piperidin-1-yl]hexan-1-one
CID 4037944
1-[3-[3-(3-methoxyphenyl)-1,2,4-oxadiazol-5-yl]piperidin-1-yl]hexan-1-one
CID 3986226

Frequently Asked Questions

What is the IUPAC name of [6-[(3S)-3-[3-(3-chlorophenyl)-1,2,4-oxadiazol-5-yl]piperidin-1-yl]-6-oxohexyl]azanium?
The IUPAC name of [6-[(3S)-3-[3-(3-chlorophenyl)-1,2,4-oxadiazol-5-yl]piperidin-1-yl]-6-oxohexyl]azanium (CID 7289117) is [6-[(3S)-3-[3-(3-chlorophenyl)-1,2,4-oxadiazol-5-yl]piperidin-1-yl]-6-oxohexyl]azanium.
What is the SMILES notation for [6-[(3S)-3-[3-(3-chlorophenyl)-1,2,4-oxadiazol-5-yl]piperidin-1-yl]-6-oxohexyl]azanium?
The canonical SMILES for [6-[(3S)-3-[3-(3-chlorophenyl)-1,2,4-oxadiazol-5-yl]piperidin-1-yl]-6-oxohexyl]azanium is [NH3+]CCCCCC(=O)N1CCC[C@H](c2nc(-c3cccc(Cl)c3)no2)C1.
What is the InChIKey of [6-[(3S)-3-[3-(3-chlorophenyl)-1,2,4-oxadiazol-5-yl]piperidin-1-yl]-6-oxohexyl]azanium?
The InChIKey is CJTYGAXODGMJEO-HNNXBMFYSA-O. The full InChI is InChI=1S/C19H25ClN4O2/c20-16-8-4-6-14(12-16)18-22-19(26-23-18)15-7-5-11-24(13-15)17(25)9-2-1-3-10-21/h4,6,8,12,15H,1-3,5,7,9-11,13,21H2/p+1/t15-/m0/s1.
What are the key properties of [6-[(3S)-3-[3-(3-chlorophenyl)-1,2,4-oxadiazol-5-yl]piperidin-1-yl]-6-oxohexyl]azanium?
[6-[(3S)-3-[3-(3-chlorophenyl)-1,2,4-oxadiazol-5-yl]piperidin-1-yl]-6-oxohexyl]azanium has a molecular weight of 377.90 g/mol, XLogP of 2.90, 7 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for [6-[(3S)-3-[3-(3-chlorophenyl)-1,2,4-oxadiazol-5-yl]piperidin-1-yl]-6-oxohexyl]azanium is sourced from PubChem (CID 7289117), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).