3-[3-[(3S)-1-(2-phenylethyl)piperidin-3-yl]pyrazin-2-yl]benzamide

C24H26N4O — CID 95818755

IUPAC3-[3-[(3S)-1-(2-phenylethyl)piperidin-3-yl]pyrazin-2-yl]benzamide
SMILESNC(=O)c1cccc(-c2nccnc2[C@H]2CCCN(CCc3ccccc3)C2)c1
InChIInChI=1S/C24H26N4O/c25-24(29)20-9-4-8-19(16-20)22-23(27-13-12-26-22)21-10-5-14-28(17-21)15-11-18-6-2-1-3-7-18/h1-4,6-9,12-13,16,21H,5,10-11,14-15,17H2,(H2,25,29)/t21-/m0/s1
InChIKeyHTHNGPXGMWBGAJ-NRFANRHFSA-N
MW386.50 g/mol
LogP3.66
Rot. Bonds6

About 3-[3-[(3S)-1-(2-phenylethyl)piperidin-3-yl]pyrazin-2-yl]benzamide

3-[3-[(3S)-1-(2-phenylethyl)piperidin-3-yl]pyrazin-2-yl]benzamide (PubChem CID 95818755) has the molecular formula C24H26N4O and a molecular weight of 386.50 g/mol. Its IUPAC name is 3-[3-[(3S)-1-(2-phenylethyl)piperidin-3-yl]pyrazin-2-yl]benzamide.

Molecular Properties

Compound Name3-[3-[(3S)-1-(2-phenylethyl)piperidin-3-yl]pyrazin-2-yl]benzamide
PubChem CID95818755
Molecular FormulaC24H26N4O
Molecular Weight386.50 g/mol
Exact Mass386.21
IUPAC Name3-[3-[(3S)-1-(2-phenylethyl)piperidin-3-yl]pyrazin-2-yl]benzamide
SMILESNC(=O)c1cccc(-c2nccnc2[C@H]2CCCN(CCc3ccccc3)C2)c1
InChIInChI=1S/C24H26N4O/c25-24(29)20-9-4-8-19(16-20)22-23(27-13-12-26-22)21-10-5-14-28(17-21)15-11-18-6-2-1-3-7-18/h1-4,6-9,12-13,16,21H,5,10-11,14-15,17H2,(H2,25,29)/t21-/m0/s1
InChIKeyHTHNGPXGMWBGAJ-NRFANRHFSA-N
XLogP3.66
TPSA72.11 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500386.50
LogP ≤ 53.66
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Analyze 3-[3-[(3S)-1-(2-phenylethyl)piperidin-3-yl]pyrazin-2-yl]benzamide 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

3-[3-[(3S)-1-benzylpiperidin-3-yl]pyrazin-2-yl]benzamide
CID 95818592
3-[3-[1-[(4-fluorophenyl)methyl]piperidin-3-yl]pyrazin-2-yl]benzamide
CID 110254810
3-[3-[(3R)-1-[(1-methylpyrazol-4-yl)methyl]piperidin-3-yl]pyrazin-2-yl]benzamide
CID 95819300
3-[3-[(3R)-1-(pyridine-4-carbonyl)piperidin-3-yl]pyrazin-2-yl]benzamide
CID 95818967
3-[3-[(3R)-1-(2-pyridin-2-ylacetyl)piperidin-3-yl]pyrazin-2-yl]benzamide
CID 95819100
3-[3-[1-(2-pyridin-2-ylacetyl)piperidin-3-yl]pyrazin-2-yl]benzamide
CID 110255040
3-[3-[1-(2-morpholin-4-ylacetyl)piperidin-3-yl]pyrazin-2-yl]benzamide
CID 110255104
3-[3-[(3R)-1-(dimethylsulfamoyl)piperidin-3-yl]pyrazin-2-yl]benzamide
CID 95819022
N-[3-[3-[(3R)-1-benzylpiperidin-3-yl]pyrazin-2-yl]phenyl]acetamide
CID 95818594
3-[2-amino-4-[(3R)-1-(2-phenylmethoxyethyl)piperidin-3-yl]pyrimidin-5-yl]benzamide
CID 95816721
3-[2-amino-4-[1-(2-phenylmethoxyethyl)piperidin-3-yl]pyrimidin-5-yl]benzamide
CID 110254010
4-[2-amino-4-[(3S)-1-(2-phenylethyl)piperidin-3-yl]pyrimidin-5-yl]benzamide
CID 95806424

Frequently Asked Questions

What is the IUPAC name of 3-[3-[(3S)-1-(2-phenylethyl)piperidin-3-yl]pyrazin-2-yl]benzamide?
The IUPAC name of 3-[3-[(3S)-1-(2-phenylethyl)piperidin-3-yl]pyrazin-2-yl]benzamide (CID 95818755) is 3-[3-[(3S)-1-(2-phenylethyl)piperidin-3-yl]pyrazin-2-yl]benzamide.
What is the SMILES notation for 3-[3-[(3S)-1-(2-phenylethyl)piperidin-3-yl]pyrazin-2-yl]benzamide?
The canonical SMILES for 3-[3-[(3S)-1-(2-phenylethyl)piperidin-3-yl]pyrazin-2-yl]benzamide is NC(=O)c1cccc(-c2nccnc2[C@H]2CCCN(CCc3ccccc3)C2)c1.
What is the InChIKey of 3-[3-[(3S)-1-(2-phenylethyl)piperidin-3-yl]pyrazin-2-yl]benzamide?
The InChIKey is HTHNGPXGMWBGAJ-NRFANRHFSA-N. The full InChI is InChI=1S/C24H26N4O/c25-24(29)20-9-4-8-19(16-20)22-23(27-13-12-26-22)21-10-5-14-28(17-21)15-11-18-6-2-1-3-7-18/h1-4,6-9,12-13,16,21H,5,10-11,14-15,17H2,(H2,25,29)/t21-/m0/s1.
What are the key properties of 3-[3-[(3S)-1-(2-phenylethyl)piperidin-3-yl]pyrazin-2-yl]benzamide?
3-[3-[(3S)-1-(2-phenylethyl)piperidin-3-yl]pyrazin-2-yl]benzamide has a molecular weight of 386.50 g/mol, XLogP of 3.66, 6 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[3-[(3S)-1-(2-phenylethyl)piperidin-3-yl]pyrazin-2-yl]benzamide is sourced from PubChem (CID 95818755), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).