3-[5-(piperidin-3-ylmethyl)pyrazin-2-yl]benzamide

C17H20N4O — CID 110257586

IUPAC3-[5-(piperidin-3-ylmethyl)pyrazin-2-yl]benzamide
SMILESNC(=O)c1cccc(-c2cnc(CC3CCCNC3)cn2)c1
InChIInChI=1S/C17H20N4O/c18-17(22)14-5-1-4-13(8-14)16-11-20-15(10-21-16)7-12-3-2-6-19-9-12/h1,4-5,8,10-12,19H,2-3,6-7,9H2,(H2,18,22)
InChIKeyNFTCYTISTXUWQB-UHFFFAOYSA-N
MW296.37 g/mol
LogP1.78
Rot. Bonds4

About 3-[5-(piperidin-3-ylmethyl)pyrazin-2-yl]benzamide

3-[5-(piperidin-3-ylmethyl)pyrazin-2-yl]benzamide (PubChem CID 110257586) has the molecular formula C17H20N4O and a molecular weight of 296.37 g/mol. Its IUPAC name is 3-[5-(piperidin-3-ylmethyl)pyrazin-2-yl]benzamide.

Molecular Properties

Compound Name3-[5-(piperidin-3-ylmethyl)pyrazin-2-yl]benzamide
PubChem CID110257586
Molecular FormulaC17H20N4O
Molecular Weight296.37 g/mol
Exact Mass296.16
IUPAC Name3-[5-(piperidin-3-ylmethyl)pyrazin-2-yl]benzamide
SMILESNC(=O)c1cccc(-c2cnc(CC3CCCNC3)cn2)c1
InChIInChI=1S/C17H20N4O/c18-17(22)14-5-1-4-13(8-14)16-11-20-15(10-21-16)7-12-3-2-6-19-9-12/h1,4-5,8,10-12,19H,2-3,6-7,9H2,(H2,18,22)
InChIKeyNFTCYTISTXUWQB-UHFFFAOYSA-N
XLogP1.78
TPSA80.90 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500296.37
LogP ≤ 51.78
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

2-(3,4-difluorophenyl)-5-(piperidin-3-ylmethyl)pyrazine
CID 110257421
2-(4-fluorophenyl)-5-(piperidin-3-ylmethyl)pyrazine
CID 110270443
3-[5-[(1-methylpiperidin-3-yl)methyl]pyrazin-2-yl]benzoic acid
CID 110120249
3-N-(piperidin-3-ylmethyl)benzene-1,3-dicarboxamide;hydrochloride
CID 119463124
3-[(piperidin-3-ylmethylamino)methyl]benzamide
CID 80553685
3-(piperidin-3-ylmethoxymethyl)benzamide
CID 62340748
2-(piperidin-3-ylmethyl)-5-(1-propan-2-ylpyrazol-4-yl)pyrazine
CID 110102375
3-[5-(aminomethyl)pyrazin-2-yl]-N-(pyrrolidin-2-ylmethyl)benzamide
CID 91342465
2-[[(3R)-piperidin-3-yl]methyl]-5-(1-propylpyrazol-4-yl)pyrazine
CID 124968977
4-[6-(piperidin-3-ylmethyl)pyrimidin-4-yl]benzoic acid
CID 110096548
3-[6-[(2R)-morpholin-2-yl]-2-pyridinyl]benzamide
CID 124977411
3-[3-oxo-3-(piperidin-3-ylmethylamino)propoxy]benzamide
CID 119464575

Frequently Asked Questions

What is the IUPAC name of 3-[5-(piperidin-3-ylmethyl)pyrazin-2-yl]benzamide?
The IUPAC name of 3-[5-(piperidin-3-ylmethyl)pyrazin-2-yl]benzamide (CID 110257586) is 3-[5-(piperidin-3-ylmethyl)pyrazin-2-yl]benzamide.
What is the SMILES notation for 3-[5-(piperidin-3-ylmethyl)pyrazin-2-yl]benzamide?
The canonical SMILES for 3-[5-(piperidin-3-ylmethyl)pyrazin-2-yl]benzamide is NC(=O)c1cccc(-c2cnc(CC3CCCNC3)cn2)c1.
What is the InChIKey of 3-[5-(piperidin-3-ylmethyl)pyrazin-2-yl]benzamide?
The InChIKey is NFTCYTISTXUWQB-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H20N4O/c18-17(22)14-5-1-4-13(8-14)16-11-20-15(10-21-16)7-12-3-2-6-19-9-12/h1,4-5,8,10-12,19H,2-3,6-7,9H2,(H2,18,22).
What are the key properties of 3-[5-(piperidin-3-ylmethyl)pyrazin-2-yl]benzamide?
3-[5-(piperidin-3-ylmethyl)pyrazin-2-yl]benzamide has a molecular weight of 296.37 g/mol, XLogP of 1.78, 4 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[5-(piperidin-3-ylmethyl)pyrazin-2-yl]benzamide is sourced from PubChem (CID 110257586), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).