1-N-(3-methoxyphenyl)-3-N-(2-oxopiperidin-3-yl)-4-(pyrazine-2-carbonyl)piperazine-1,3-dicarboxamide

C23H27N7O5 — CID 78524400

IUPAC1-N-(3-methoxyphenyl)-3-N-(2-oxopiperidin-3-yl)-4-(pyrazine-2-carbonyl)piperazine-1,3-dicarboxamide
SMILESCOc1cccc(NC(=O)N2CCN(C(=O)c3cnccn3)C(C(=O)NC3CCCNC3=O)C2)c1
InChIInChI=1S/C23H27N7O5/c1-35-16-5-2-4-15(12-16)27-23(34)29-10-11-30(22(33)18-13-24-8-9-25-18)19(14-29)21(32)28-17-6-3-7-26-20(17)31/h2,4-5,8-9,12-13,17,19H,3,6-7,10-11,14H2,1H3,(H,26,31)(H,27,34)(H,28,32)
InChIKeyGVJTYQIFOKWFTP-UHFFFAOYSA-N
MW481.51 g/mol
LogP0.24
Rot. Bonds5

About 1-N-(3-methoxyphenyl)-3-N-(2-oxopiperidin-3-yl)-4-(pyrazine-2-carbonyl)piperazine-1,3-dicarboxamide

1-N-(3-methoxyphenyl)-3-N-(2-oxopiperidin-3-yl)-4-(pyrazine-2-carbonyl)piperazine-1,3-dicarboxamide (PubChem CID 78524400) has the molecular formula C23H27N7O5 and a molecular weight of 481.51 g/mol. Its IUPAC name is 1-N-(3-methoxyphenyl)-3-N-(2-oxopiperidin-3-yl)-4-(pyrazine-2-carbonyl)piperazine-1,3-dicarboxamide.

Molecular Properties

Compound Name1-N-(3-methoxyphenyl)-3-N-(2-oxopiperidin-3-yl)-4-(pyrazine-2-carbonyl)piperazine-1,3-dicarboxamide
PubChem CID78524400
Molecular FormulaC23H27N7O5
Molecular Weight481.51 g/mol
Exact Mass481.21
IUPAC Name1-N-(3-methoxyphenyl)-3-N-(2-oxopiperidin-3-yl)-4-(pyrazine-2-carbonyl)piperazine-1,3-dicarboxamide
SMILESCOc1cccc(NC(=O)N2CCN(C(=O)c3cnccn3)C(C(=O)NC3CCCNC3=O)C2)c1
InChIInChI=1S/C23H27N7O5/c1-35-16-5-2-4-15(12-16)27-23(34)29-10-11-30(22(33)18-13-24-8-9-25-18)19(14-29)21(32)28-17-6-3-7-26-20(17)31/h2,4-5,8-9,12-13,17,19H,3,6-7,10-11,14H2,1H3,(H,26,31)(H,27,34)(H,28,32)
InChIKeyGVJTYQIFOKWFTP-UHFFFAOYSA-N
XLogP0.24
TPSA145.86 Ų
H-Bond Donors3
H-Bond Acceptors7
Rotatable Bonds5
Heavy Atoms35
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500481.51
LogP ≤ 50.24
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 107

Analyze 1-N-(3-methoxyphenyl)-3-N-(2-oxopiperidin-3-yl)-4-(pyrazine-2-carbonyl)piperazine-1,3-dicarboxamide with MolForge

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Related Compounds

(2S)-4-(3-fluorobenzoyl)-N-[(3R)-2-oxopiperidin-3-yl]-1-(pyrazine-2-carbonyl)piperazine-2-carboxamide
CID 162885419
(2S)-4-(cyclohexanecarbonyl)-N-[(3R)-2-oxopiperidin-3-yl]-1-(pyrazine-2-carbonyl)piperazine-2-carboxamide
CID 162809347
4-[4-(dimethylamino)benzoyl]-N-(2-oxopiperidin-3-yl)-1-(pyrazine-2-carbonyl)piperazine-2-carboxamide
CID 78520017
(2S)-4-(morpholine-4-carbonyl)-N-[(3R)-2-oxopiperidin-3-yl]-1-(pyrazine-2-carbonyl)piperazine-2-carboxamide
CID 162804829
(3R)-1-N-cyclohexyl-4-(4-methoxybenzoyl)-3-N-[(3S)-2-oxopiperidin-3-yl]piperazine-1,3-dicarboxamide
CID 11912207
1-(4-methoxybenzoyl)-N-(2-oxopiperidin-3-yl)-4-(piperidine-4-carbonyl)piperazine-2-carboxamide
CID 73139083
1-benzoyl-N-(2-oxopiperidin-3-yl)-4-(pyridine-3-carbonyl)piperazine-2-carboxamide
CID 73139587
(2R)-4-benzoyl-N-[(3R)-2-oxopiperidin-3-yl]-1-(pyridine-3-carbonyl)piperazine-2-carboxamide
CID 162802444
(2R)-4-[4-(dimethylamino)benzoyl]-1-(4-methoxybenzoyl)-N-[(3S)-2-oxopiperidin-3-yl]piperazine-2-carboxamide
CID 9381953
(3S)-4-benzoyl-3-N-[(3S)-2-oxopiperidin-3-yl]-1-N-propan-2-ylpiperazine-1,3-dicarboxamide
CID 7682191
(2R)-1-(2-aminoacetyl)-4-(4-methoxybenzoyl)-N-[(3S)-2-oxopiperidin-3-yl]piperazine-2-carboxamide
CID 7682218
4-(1-methylpyrrole-2-carbonyl)-N-(2-oxopiperidin-3-yl)-1-(pyridine-3-carbonyl)piperazine-2-carboxamide
CID 78524153

Frequently Asked Questions

What is the IUPAC name of 1-N-(3-methoxyphenyl)-3-N-(2-oxopiperidin-3-yl)-4-(pyrazine-2-carbonyl)piperazine-1,3-dicarboxamide?
The IUPAC name of 1-N-(3-methoxyphenyl)-3-N-(2-oxopiperidin-3-yl)-4-(pyrazine-2-carbonyl)piperazine-1,3-dicarboxamide (CID 78524400) is 1-N-(3-methoxyphenyl)-3-N-(2-oxopiperidin-3-yl)-4-(pyrazine-2-carbonyl)piperazine-1,3-dicarboxamide.
What is the SMILES notation for 1-N-(3-methoxyphenyl)-3-N-(2-oxopiperidin-3-yl)-4-(pyrazine-2-carbonyl)piperazine-1,3-dicarboxamide?
The canonical SMILES for 1-N-(3-methoxyphenyl)-3-N-(2-oxopiperidin-3-yl)-4-(pyrazine-2-carbonyl)piperazine-1,3-dicarboxamide is COc1cccc(NC(=O)N2CCN(C(=O)c3cnccn3)C(C(=O)NC3CCCNC3=O)C2)c1.
What is the InChIKey of 1-N-(3-methoxyphenyl)-3-N-(2-oxopiperidin-3-yl)-4-(pyrazine-2-carbonyl)piperazine-1,3-dicarboxamide?
The InChIKey is GVJTYQIFOKWFTP-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H27N7O5/c1-35-16-5-2-4-15(12-16)27-23(34)29-10-11-30(22(33)18-13-24-8-9-25-18)19(14-29)21(32)28-17-6-3-7-26-20(17)31/h2,4-5,8-9,12-13,17,19H,3,6-7,10-11,14H2,1H3,(H,26,31)(H,27,34)(H,28,32).
What are the key properties of 1-N-(3-methoxyphenyl)-3-N-(2-oxopiperidin-3-yl)-4-(pyrazine-2-carbonyl)piperazine-1,3-dicarboxamide?
1-N-(3-methoxyphenyl)-3-N-(2-oxopiperidin-3-yl)-4-(pyrazine-2-carbonyl)piperazine-1,3-dicarboxamide has a molecular weight of 481.51 g/mol, XLogP of 0.24, 5 rotatable bonds, 3 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 1-N-(3-methoxyphenyl)-3-N-(2-oxopiperidin-3-yl)-4-(pyrazine-2-carbonyl)piperazine-1,3-dicarboxamide is sourced from PubChem (CID 78524400), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).