4-[4-(dimethylamino)benzoyl]-N-(2-oxopiperidin-3-yl)-1-(pyrazine-2-carbonyl)piperazine-2-carboxamide

C24H29N7O4 — CID 78520017

IUPAC4-[4-(dimethylamino)benzoyl]-N-(2-oxopiperidin-3-yl)-1-(pyrazine-2-carbonyl)piperazine-2-carboxamide
SMILESCN(C)c1ccc(C(=O)N2CCN(C(=O)c3cnccn3)C(C(=O)NC3CCCNC3=O)C2)cc1
InChIInChI=1S/C24H29N7O4/c1-29(2)17-7-5-16(6-8-17)23(34)30-12-13-31(24(35)19-14-25-10-11-26-19)20(15-30)22(33)28-18-4-3-9-27-21(18)32/h5-8,10-11,14,18,20H,3-4,9,12-13,15H2,1-2H3,(H,27,32)(H,28,33)
InChIKeyDIJLRTRWBVCLPJ-UHFFFAOYSA-N
MW479.54 g/mol
LogP-0.10
Rot. Bonds5

About 4-[4-(dimethylamino)benzoyl]-N-(2-oxopiperidin-3-yl)-1-(pyrazine-2-carbonyl)piperazine-2-carboxamide

4-[4-(dimethylamino)benzoyl]-N-(2-oxopiperidin-3-yl)-1-(pyrazine-2-carbonyl)piperazine-2-carboxamide (PubChem CID 78520017) has the molecular formula C24H29N7O4 and a molecular weight of 479.54 g/mol. Its IUPAC name is 4-[4-(dimethylamino)benzoyl]-N-(2-oxopiperidin-3-yl)-1-(pyrazine-2-carbonyl)piperazine-2-carboxamide.

Molecular Properties

Compound Name4-[4-(dimethylamino)benzoyl]-N-(2-oxopiperidin-3-yl)-1-(pyrazine-2-carbonyl)piperazine-2-carboxamide
PubChem CID78520017
Molecular FormulaC24H29N7O4
Molecular Weight479.54 g/mol
Exact Mass479.23
IUPAC Name4-[4-(dimethylamino)benzoyl]-N-(2-oxopiperidin-3-yl)-1-(pyrazine-2-carbonyl)piperazine-2-carboxamide
SMILESCN(C)c1ccc(C(=O)N2CCN(C(=O)c3cnccn3)C(C(=O)NC3CCCNC3=O)C2)cc1
InChIInChI=1S/C24H29N7O4/c1-29(2)17-7-5-16(6-8-17)23(34)30-12-13-31(24(35)19-14-25-10-11-26-19)20(15-30)22(33)28-18-4-3-9-27-21(18)32/h5-8,10-11,14,18,20H,3-4,9,12-13,15H2,1-2H3,(H,27,32)(H,28,33)
InChIKeyDIJLRTRWBVCLPJ-UHFFFAOYSA-N
XLogP-0.10
TPSA127.84 Ų
H-Bond Donors2
H-Bond Acceptors7
Rotatable Bonds5
Heavy Atoms35
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500479.54
LogP ≤ 5-0.10
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 107

Analyze 4-[4-(dimethylamino)benzoyl]-N-(2-oxopiperidin-3-yl)-1-(pyrazine-2-carbonyl)piperazine-2-carboxamide with MolForge

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Related Compounds

(2S)-1-[4-(dimethylamino)benzoyl]-N-[(3R)-2-oxopiperidin-3-yl]-4-(pyridine-3-carbonyl)piperazine-2-carboxamide
CID 163118923
4-(4-cyanobenzoyl)-1-[4-(dimethylamino)benzoyl]-N-(2-oxopiperidin-3-yl)piperazine-2-carboxamide
CID 73138595
(2R)-4-[4-(dimethylamino)benzoyl]-1-(4-methoxybenzoyl)-N-[(3S)-2-oxopiperidin-3-yl]piperazine-2-carboxamide
CID 9381953
(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
1-N-cyclohexyl-3-N-(2-oxopiperidin-3-yl)-4-(pyrazine-2-carbonyl)piperazine-1,3-dicarboxamide
CID 162990141
(2R)-4-[4-(dimethylamino)benzoyl]-N-[(3R)-2-oxopiperidin-3-yl]-1-[(4S)-1,3-thiazolidine-4-carbonyl]piperazine-2-carboxamide
CID 163136257
(2S)-1-[4-(dimethylamino)benzoyl]-4-(2-methoxyacetyl)-N-[(3S)-2-oxopiperidin-3-yl]piperazine-2-carboxamide
CID 11911666
(2S)-4-(morpholine-4-carbonyl)-N-[(3R)-2-oxopiperidin-3-yl]-1-(pyrazine-2-carbonyl)piperazine-2-carboxamide
CID 162804829
1-[4-(dimethylamino)benzoyl]-4-methylsulfonyl-N-(2-oxopiperidin-3-yl)piperazine-2-carboxamide
CID 162812005
(2R)-4-benzoyl-N-[(3R)-2-oxopiperidin-3-yl]-1-(pyridine-3-carbonyl)piperazine-2-carboxamide
CID 162802444
1-benzoyl-N-(2-oxopiperidin-3-yl)-4-(pyridine-3-carbonyl)piperazine-2-carboxamide
CID 73139587

Frequently Asked Questions

What is the IUPAC name of 4-[4-(dimethylamino)benzoyl]-N-(2-oxopiperidin-3-yl)-1-(pyrazine-2-carbonyl)piperazine-2-carboxamide?
The IUPAC name of 4-[4-(dimethylamino)benzoyl]-N-(2-oxopiperidin-3-yl)-1-(pyrazine-2-carbonyl)piperazine-2-carboxamide (CID 78520017) is 4-[4-(dimethylamino)benzoyl]-N-(2-oxopiperidin-3-yl)-1-(pyrazine-2-carbonyl)piperazine-2-carboxamide.
What is the SMILES notation for 4-[4-(dimethylamino)benzoyl]-N-(2-oxopiperidin-3-yl)-1-(pyrazine-2-carbonyl)piperazine-2-carboxamide?
The canonical SMILES for 4-[4-(dimethylamino)benzoyl]-N-(2-oxopiperidin-3-yl)-1-(pyrazine-2-carbonyl)piperazine-2-carboxamide is CN(C)c1ccc(C(=O)N2CCN(C(=O)c3cnccn3)C(C(=O)NC3CCCNC3=O)C2)cc1.
What is the InChIKey of 4-[4-(dimethylamino)benzoyl]-N-(2-oxopiperidin-3-yl)-1-(pyrazine-2-carbonyl)piperazine-2-carboxamide?
The InChIKey is DIJLRTRWBVCLPJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H29N7O4/c1-29(2)17-7-5-16(6-8-17)23(34)30-12-13-31(24(35)19-14-25-10-11-26-19)20(15-30)22(33)28-18-4-3-9-27-21(18)32/h5-8,10-11,14,18,20H,3-4,9,12-13,15H2,1-2H3,(H,27,32)(H,28,33).
What are the key properties of 4-[4-(dimethylamino)benzoyl]-N-(2-oxopiperidin-3-yl)-1-(pyrazine-2-carbonyl)piperazine-2-carboxamide?
4-[4-(dimethylamino)benzoyl]-N-(2-oxopiperidin-3-yl)-1-(pyrazine-2-carbonyl)piperazine-2-carboxamide has a molecular weight of 479.54 g/mol, XLogP of -0.10, 5 rotatable bonds, 2 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[4-(dimethylamino)benzoyl]-N-(2-oxopiperidin-3-yl)-1-(pyrazine-2-carbonyl)piperazine-2-carboxamide is sourced from PubChem (CID 78520017), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).