4-tert-butyl-N-[1-(pyrazine-2-carbonyl)piperidin-4-yl]benzamide

C21H26N4O2 — CID 108554177

IUPAC4-tert-butyl-N-[1-(pyrazine-2-carbonyl)piperidin-4-yl]benzamide
SMILESCC(C)(C)c1ccc(C(=O)NC2CCN(C(=O)c3cnccn3)CC2)cc1
InChIInChI=1S/C21H26N4O2/c1-21(2,3)16-6-4-15(5-7-16)19(26)24-17-8-12-25(13-9-17)20(27)18-14-22-10-11-23-18/h4-7,10-11,14,17H,8-9,12-13H2,1-3H3,(H,24,26)
InChIKeyKHSKGNHRLGQMLS-UHFFFAOYSA-N
MW366.47 g/mol
LogP2.81
Rot. Bonds3

About 4-tert-butyl-N-[1-(pyrazine-2-carbonyl)piperidin-4-yl]benzamide

4-tert-butyl-N-[1-(pyrazine-2-carbonyl)piperidin-4-yl]benzamide (PubChem CID 108554177) has the molecular formula C21H26N4O2 and a molecular weight of 366.47 g/mol. Its IUPAC name is 4-tert-butyl-N-[1-(pyrazine-2-carbonyl)piperidin-4-yl]benzamide.

Molecular Properties

Compound Name4-tert-butyl-N-[1-(pyrazine-2-carbonyl)piperidin-4-yl]benzamide
PubChem CID108554177
Molecular FormulaC21H26N4O2
Molecular Weight366.47 g/mol
Exact Mass366.21
IUPAC Name4-tert-butyl-N-[1-(pyrazine-2-carbonyl)piperidin-4-yl]benzamide
SMILESCC(C)(C)c1ccc(C(=O)NC2CCN(C(=O)c3cnccn3)CC2)cc1
InChIInChI=1S/C21H26N4O2/c1-21(2,3)16-6-4-15(5-7-16)19(26)24-17-8-12-25(13-9-17)20(27)18-14-22-10-11-23-18/h4-7,10-11,14,17H,8-9,12-13H2,1-3H3,(H,24,26)
InChIKeyKHSKGNHRLGQMLS-UHFFFAOYSA-N
XLogP2.81
TPSA75.19 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500366.47
LogP ≤ 52.81
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

4-methoxy-N-[1-(pyrazine-2-carbonyl)piperidin-4-yl]benzamide
CID 110821265
4-tert-butyl-N-[1-(pyrazine-2-carbonyl)piperidin-4-yl]benzenesulfonamide
CID 108566849
2,2-dimethyl-N-[1-(pyrazine-2-carbonyl)piperidin-4-yl]propanamide
CID 110821253
3,4,5-triethoxy-N-[1-(pyrazine-2-carbonyl)piperidin-4-yl]benzamide
CID 108550660
2-hydroxy-N-[1-(pyrazine-2-carbonyl)piperidin-4-yl]benzamide
CID 108551435
2-chloro-N-[1-(pyrazine-2-carbonyl)piperidin-4-yl]benzamide
CID 110821271
N-[1-(pyrazine-2-carbonyl)piperidin-4-yl]thiophene-2-carboxamide
CID 110821257
N-[1-(4-phenylbenzoyl)piperidin-4-yl]pyrazine-2-carboxamide
CID 108557355
4-bromo-N-[1-(4-tert-butylbenzoyl)piperidin-4-yl]benzamide
CID 108550518
N-[1-(pyrazine-2-carbonyl)piperidin-4-yl]cyclopentanecarboxamide
CID 110821254
4-tert-butyl-N-[1-(4-propan-2-ylbenzoyl)piperidin-4-yl]benzamide
CID 108561415
N-[1-(3,4,5-trihydroxybenzoyl)piperidin-4-yl]pyrazine-2-carboxamide
CID 108557370

Frequently Asked Questions

What is the IUPAC name of 4-tert-butyl-N-[1-(pyrazine-2-carbonyl)piperidin-4-yl]benzamide?
The IUPAC name of 4-tert-butyl-N-[1-(pyrazine-2-carbonyl)piperidin-4-yl]benzamide (CID 108554177) is 4-tert-butyl-N-[1-(pyrazine-2-carbonyl)piperidin-4-yl]benzamide.
What is the SMILES notation for 4-tert-butyl-N-[1-(pyrazine-2-carbonyl)piperidin-4-yl]benzamide?
The canonical SMILES for 4-tert-butyl-N-[1-(pyrazine-2-carbonyl)piperidin-4-yl]benzamide is CC(C)(C)c1ccc(C(=O)NC2CCN(C(=O)c3cnccn3)CC2)cc1.
What is the InChIKey of 4-tert-butyl-N-[1-(pyrazine-2-carbonyl)piperidin-4-yl]benzamide?
The InChIKey is KHSKGNHRLGQMLS-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H26N4O2/c1-21(2,3)16-6-4-15(5-7-16)19(26)24-17-8-12-25(13-9-17)20(27)18-14-22-10-11-23-18/h4-7,10-11,14,17H,8-9,12-13H2,1-3H3,(H,24,26).
What are the key properties of 4-tert-butyl-N-[1-(pyrazine-2-carbonyl)piperidin-4-yl]benzamide?
4-tert-butyl-N-[1-(pyrazine-2-carbonyl)piperidin-4-yl]benzamide has a molecular weight of 366.47 g/mol, XLogP of 2.81, 3 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-tert-butyl-N-[1-(pyrazine-2-carbonyl)piperidin-4-yl]benzamide is sourced from PubChem (CID 108554177), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).