3,4,5-triethoxy-N-[1-(pyrazine-2-carbonyl)piperidin-4-yl]benzamide

C23H30N4O5 — CID 108550660

IUPAC3,4,5-triethoxy-N-[1-(pyrazine-2-carbonyl)piperidin-4-yl]benzamide
SMILESCCOc1cc(C(=O)NC2CCN(C(=O)c3cnccn3)CC2)cc(OCC)c1OCC
InChIInChI=1S/C23H30N4O5/c1-4-30-19-13-16(14-20(31-5-2)21(19)32-6-3)22(28)26-17-7-11-27(12-8-17)23(29)18-15-24-9-10-25-18/h9-10,13-15,17H,4-8,11-12H2,1-3H3,(H,26,28)
InChIKeyTWYHLJKMWPBNEX-UHFFFAOYSA-N
MW442.52 g/mol
LogP2.71
Rot. Bonds9

About 3,4,5-triethoxy-N-[1-(pyrazine-2-carbonyl)piperidin-4-yl]benzamide

3,4,5-triethoxy-N-[1-(pyrazine-2-carbonyl)piperidin-4-yl]benzamide (PubChem CID 108550660) has the molecular formula C23H30N4O5 and a molecular weight of 442.52 g/mol. Its IUPAC name is 3,4,5-triethoxy-N-[1-(pyrazine-2-carbonyl)piperidin-4-yl]benzamide.

Molecular Properties

Compound Name3,4,5-triethoxy-N-[1-(pyrazine-2-carbonyl)piperidin-4-yl]benzamide
PubChem CID108550660
Molecular FormulaC23H30N4O5
Molecular Weight442.52 g/mol
Exact Mass442.22
IUPAC Name3,4,5-triethoxy-N-[1-(pyrazine-2-carbonyl)piperidin-4-yl]benzamide
SMILESCCOc1cc(C(=O)NC2CCN(C(=O)c3cnccn3)CC2)cc(OCC)c1OCC
InChIInChI=1S/C23H30N4O5/c1-4-30-19-13-16(14-20(31-5-2)21(19)32-6-3)22(28)26-17-7-11-27(12-8-17)23(29)18-15-24-9-10-25-18/h9-10,13-15,17H,4-8,11-12H2,1-3H3,(H,26,28)
InChIKeyTWYHLJKMWPBNEX-UHFFFAOYSA-N
XLogP2.71
TPSA102.88 Ų
H-Bond Donors1
H-Bond Acceptors7
Rotatable Bonds9
Heavy Atoms32
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500442.52
LogP ≤ 52.71
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 107

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Related Compounds

[4-(pyrazine-2-carbonyl)-1,4-diazepan-1-yl]-(3,4,5-triethoxyphenyl)methanone
CID 108545155
4-methoxy-N-[1-(pyrazine-2-carbonyl)piperidin-4-yl]benzamide
CID 110821265
4-tert-butyl-N-[1-(pyrazine-2-carbonyl)piperidin-4-yl]benzamide
CID 108554177
methyl N-[1-(3,4,5-triethoxybenzoyl)piperidin-4-yl]carbamate
CID 108564110
2,2-dimethyl-N-[1-(pyrazine-2-carbonyl)piperidin-4-yl]propanamide
CID 110821253
2,2-dichloro-N-[1-(3,4,5-triethoxybenzoyl)piperidin-4-yl]acetamide
CID 108564107
1,1-dimethyl-3-[1-(3,4,5-triethoxybenzoyl)piperidin-4-yl]urea
CID 108564112
N-[1-(3,4,5-trihydroxybenzoyl)piperidin-4-yl]pyrazine-2-carboxamide
CID 108557370
2,2,2-trifluoro-N-[1-(3,4,5-triethoxybenzoyl)piperidin-4-yl]acetamide
CID 108548679
2-hydroxy-N-[1-(pyrazine-2-carbonyl)piperidin-4-yl]benzamide
CID 108551435
methyl 4-(pyrazine-2-carbonylamino)piperidine-1-carboxylate
CID 110821817
3-chloro-N-[1-(pyrazine-2-carbonyl)piperidin-4-yl]propanamide
CID 108566868

Frequently Asked Questions

What is the IUPAC name of 3,4,5-triethoxy-N-[1-(pyrazine-2-carbonyl)piperidin-4-yl]benzamide?
The IUPAC name of 3,4,5-triethoxy-N-[1-(pyrazine-2-carbonyl)piperidin-4-yl]benzamide (CID 108550660) is 3,4,5-triethoxy-N-[1-(pyrazine-2-carbonyl)piperidin-4-yl]benzamide.
What is the SMILES notation for 3,4,5-triethoxy-N-[1-(pyrazine-2-carbonyl)piperidin-4-yl]benzamide?
The canonical SMILES for 3,4,5-triethoxy-N-[1-(pyrazine-2-carbonyl)piperidin-4-yl]benzamide is CCOc1cc(C(=O)NC2CCN(C(=O)c3cnccn3)CC2)cc(OCC)c1OCC.
What is the InChIKey of 3,4,5-triethoxy-N-[1-(pyrazine-2-carbonyl)piperidin-4-yl]benzamide?
The InChIKey is TWYHLJKMWPBNEX-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H30N4O5/c1-4-30-19-13-16(14-20(31-5-2)21(19)32-6-3)22(28)26-17-7-11-27(12-8-17)23(29)18-15-24-9-10-25-18/h9-10,13-15,17H,4-8,11-12H2,1-3H3,(H,26,28).
What are the key properties of 3,4,5-triethoxy-N-[1-(pyrazine-2-carbonyl)piperidin-4-yl]benzamide?
3,4,5-triethoxy-N-[1-(pyrazine-2-carbonyl)piperidin-4-yl]benzamide has a molecular weight of 442.52 g/mol, XLogP of 2.71, 9 rotatable bonds, 1 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 3,4,5-triethoxy-N-[1-(pyrazine-2-carbonyl)piperidin-4-yl]benzamide is sourced from PubChem (CID 108550660), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).