(1-benzoylpiperidin-4-yl)-(2-thia-5-azabicyclo[2.2.1]heptan-5-yl)methanone

C18H22N2O2S — CID 122245207

IUPAC(1-benzoylpiperidin-4-yl)-(2-thia-5-azabicyclo[2.2.1]heptan-5-yl)methanone
SMILESO=C(c1ccccc1)N1CCC(C(=O)N2CC3CC2CS3)CC1
InChIInChI=1S/C18H22N2O2S/c21-17(13-4-2-1-3-5-13)19-8-6-14(7-9-19)18(22)20-11-16-10-15(20)12-23-16/h1-5,14-16H,6-12H2
InChIKeyQFWPHLJLTAGHGH-UHFFFAOYSA-N
MW330.45 g/mol
LogP2.26
Rot. Bonds2

About (1-benzoylpiperidin-4-yl)-(2-thia-5-azabicyclo[2.2.1]heptan-5-yl)methanone

(1-benzoylpiperidin-4-yl)-(2-thia-5-azabicyclo[2.2.1]heptan-5-yl)methanone (PubChem CID 122245207) has the molecular formula C18H22N2O2S and a molecular weight of 330.45 g/mol. Its IUPAC name is (1-benzoylpiperidin-4-yl)-(2-thia-5-azabicyclo[2.2.1]heptan-5-yl)methanone.

Molecular Properties

Compound Name(1-benzoylpiperidin-4-yl)-(2-thia-5-azabicyclo[2.2.1]heptan-5-yl)methanone
PubChem CID122245207
Molecular FormulaC18H22N2O2S
Molecular Weight330.45 g/mol
Exact Mass330.14
IUPAC Name(1-benzoylpiperidin-4-yl)-(2-thia-5-azabicyclo[2.2.1]heptan-5-yl)methanone
SMILESO=C(c1ccccc1)N1CCC(C(=O)N2CC3CC2CS3)CC1
InChIInChI=1S/C18H22N2O2S/c21-17(13-4-2-1-3-5-13)19-8-6-14(7-9-19)18(22)20-11-16-10-15(20)12-23-16/h1-5,14-16H,6-12H2
InChIKeyQFWPHLJLTAGHGH-UHFFFAOYSA-N
XLogP2.26
TPSA40.62 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500330.45
LogP ≤ 52.26
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Analyze (1-benzoylpiperidin-4-yl)-(2-thia-5-azabicyclo[2.2.1]heptan-5-yl)methanone 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-benzoylpiperidin-4-yl)-[4-(2-hydroxypropyl)-3-methylpiperazin-1-yl]methanone
CID 136528204
pyridin-4-yl(2-thia-5-azabicyclo[2.2.1]heptan-5-yl)methanone
CID 122160424
(3S)-1-benzoylpyrrolidine-3-carboxylic acid
CID 92614961
(4-chlorophenyl)-(2-thia-5-azabicyclo[2.2.1]heptan-5-yl)methanone
CID 122272704
(1-benzoylpiperidin-4-yl)-(2-methylpiperazin-1-yl)methanone;hydrochloride
CID 119472389
1-(4-benzamidobenzoyl)piperidine-4-carboxylic acid
CID 94830857
(3R,4R)-1-(1-benzoylpiperidine-4-carbonyl)-4-cyclopropylpyrrolidine-3-carboxylic acid
CID 120979842
phenyl-(4-pyrrol-1-ylpiperidin-1-yl)methanone
CID 2822452
(Z)-3-(1-benzoylpiperidin-4-yl)-3-phenylprop-2-enoic acid
CID 67133158
1-(1-benzoylpiperidin-4-yl)-3-phenylpropane-1,3-dione
CID 15428765
4-[(1-benzoylpiperidine-4-carbonyl)amino]benzoic acid
CID 119177742
(1-benzoylpiperidin-4-yl)-[3-(1,3-dioxolan-2-yl)piperidin-1-yl]methanone
CID 136528149

Frequently Asked Questions

What is the IUPAC name of (1-benzoylpiperidin-4-yl)-(2-thia-5-azabicyclo[2.2.1]heptan-5-yl)methanone?
The IUPAC name of (1-benzoylpiperidin-4-yl)-(2-thia-5-azabicyclo[2.2.1]heptan-5-yl)methanone (CID 122245207) is (1-benzoylpiperidin-4-yl)-(2-thia-5-azabicyclo[2.2.1]heptan-5-yl)methanone.
What is the SMILES notation for (1-benzoylpiperidin-4-yl)-(2-thia-5-azabicyclo[2.2.1]heptan-5-yl)methanone?
The canonical SMILES for (1-benzoylpiperidin-4-yl)-(2-thia-5-azabicyclo[2.2.1]heptan-5-yl)methanone is O=C(c1ccccc1)N1CCC(C(=O)N2CC3CC2CS3)CC1.
What is the InChIKey of (1-benzoylpiperidin-4-yl)-(2-thia-5-azabicyclo[2.2.1]heptan-5-yl)methanone?
The InChIKey is QFWPHLJLTAGHGH-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H22N2O2S/c21-17(13-4-2-1-3-5-13)19-8-6-14(7-9-19)18(22)20-11-16-10-15(20)12-23-16/h1-5,14-16H,6-12H2.
What are the key properties of (1-benzoylpiperidin-4-yl)-(2-thia-5-azabicyclo[2.2.1]heptan-5-yl)methanone?
(1-benzoylpiperidin-4-yl)-(2-thia-5-azabicyclo[2.2.1]heptan-5-yl)methanone has a molecular weight of 330.45 g/mol, XLogP of 2.26, 2 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (1-benzoylpiperidin-4-yl)-(2-thia-5-azabicyclo[2.2.1]heptan-5-yl)methanone is sourced from PubChem (CID 122245207), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).