1-benzoyl-N-(2-oxopiperidin-3-yl)-4-(pyridine-3-carbonyl)piperazine-2-carboxamide

C23H25N5O4 — CID 73139587

IUPAC1-benzoyl-N-(2-oxopiperidin-3-yl)-4-(pyridine-3-carbonyl)piperazine-2-carboxamide
SMILESO=C1NCCCC1NC(=O)C1CN(C(=O)c2cccnc2)CCN1C(=O)c1ccccc1
InChIInChI=1S/C23H25N5O4/c29-20-18(9-5-11-25-20)26-21(30)19-15-27(22(31)17-8-4-10-24-14-17)12-13-28(19)23(32)16-6-2-1-3-7-16/h1-4,6-8,10,14,18-19H,5,9,11-13,15H2,(H,25,29)(H,26,30)
InChIKeyHKZBXJWWJXLVRH-UHFFFAOYSA-N
MW435.48 g/mol
LogP0.44
Rot. Bonds4

About 1-benzoyl-N-(2-oxopiperidin-3-yl)-4-(pyridine-3-carbonyl)piperazine-2-carboxamide

1-benzoyl-N-(2-oxopiperidin-3-yl)-4-(pyridine-3-carbonyl)piperazine-2-carboxamide (PubChem CID 73139587) has the molecular formula C23H25N5O4 and a molecular weight of 435.48 g/mol. Its IUPAC name is 1-benzoyl-N-(2-oxopiperidin-3-yl)-4-(pyridine-3-carbonyl)piperazine-2-carboxamide.

Molecular Properties

Compound Name1-benzoyl-N-(2-oxopiperidin-3-yl)-4-(pyridine-3-carbonyl)piperazine-2-carboxamide
PubChem CID73139587
Molecular FormulaC23H25N5O4
Molecular Weight435.48 g/mol
Exact Mass435.19
IUPAC Name1-benzoyl-N-(2-oxopiperidin-3-yl)-4-(pyridine-3-carbonyl)piperazine-2-carboxamide
SMILESO=C1NCCCC1NC(=O)C1CN(C(=O)c2cccnc2)CCN1C(=O)c1ccccc1
InChIInChI=1S/C23H25N5O4/c29-20-18(9-5-11-25-20)26-21(30)19-15-27(22(31)17-8-4-10-24-14-17)12-13-28(19)23(32)16-6-2-1-3-7-16/h1-4,6-8,10,14,18-19H,5,9,11-13,15H2,(H,25,29)(H,26,30)
InChIKeyHKZBXJWWJXLVRH-UHFFFAOYSA-N
XLogP0.44
TPSA111.71 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms32
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500435.48
LogP ≤ 50.44
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Related Compounds

(2R)-4-benzoyl-N-[(3R)-2-oxopiperidin-3-yl]-1-(pyridine-3-carbonyl)piperazine-2-carboxamide
CID 162802444
(2S)-1-[4-(dimethylamino)benzoyl]-N-[(3R)-2-oxopiperidin-3-yl]-4-(pyridine-3-carbonyl)piperazine-2-carboxamide
CID 163118923
(2R)-1-(cyclohexanecarbonyl)-N-[(3S)-2-oxopiperidin-3-yl]-4-(pyridine-3-carbonyl)piperazine-2-carboxamide
CID 7674390
4-(1-methylpyrrole-2-carbonyl)-N-(2-oxopiperidin-3-yl)-1-(pyridine-3-carbonyl)piperazine-2-carboxamide
CID 78524153
(3S)-4-benzoyl-3-N-[(3S)-2-oxopiperidin-3-yl]-1-N-propan-2-ylpiperazine-1,3-dicarboxamide
CID 7682191
(2R)-N-[(3R)-2-oxopiperidin-3-yl]-1-(pyridine-3-carbonyl)piperazine-2-carboxamide
CID 162806644
(2S)-1-benzoyl-N-[(3S)-2-oxopiperidin-3-yl]-4-(piperidin-1-ium-4-carbonyl)piperazine-2-carboxamide
CID 11912588
1-benzoyl-4-(morpholine-4-carbonyl)-N-(2-oxopiperidin-3-yl)piperazine-2-carboxamide
CID 73139967
(2S)-1-benzoyl-4-(morpholine-4-carbonyl)-N-[(3R)-2-oxopiperidin-3-yl]piperazine-2-carboxamide
CID 163173098
(2S)-N-[(3S)-2-oxopiperidin-3-yl]-4-(pyridine-3-carbonyl)piperazin-1-ium-2-carboxamide
CID 9423865
(2S)-1-acetyl-N-[(3S)-2-oxopiperidin-3-yl]-4-(pyrimidine-5-carbonyl)piperazine-2-carboxamide
CID 11912338
(2R)-N-[(3R)-2-oxopiperidin-3-yl]-1-(pyrimidine-5-carbonyl)-4-(thiophene-2-carbonyl)piperazine-2-carboxamide
CID 162814732

Frequently Asked Questions

What is the IUPAC name of 1-benzoyl-N-(2-oxopiperidin-3-yl)-4-(pyridine-3-carbonyl)piperazine-2-carboxamide?
The IUPAC name of 1-benzoyl-N-(2-oxopiperidin-3-yl)-4-(pyridine-3-carbonyl)piperazine-2-carboxamide (CID 73139587) is 1-benzoyl-N-(2-oxopiperidin-3-yl)-4-(pyridine-3-carbonyl)piperazine-2-carboxamide.
What is the SMILES notation for 1-benzoyl-N-(2-oxopiperidin-3-yl)-4-(pyridine-3-carbonyl)piperazine-2-carboxamide?
The canonical SMILES for 1-benzoyl-N-(2-oxopiperidin-3-yl)-4-(pyridine-3-carbonyl)piperazine-2-carboxamide is O=C1NCCCC1NC(=O)C1CN(C(=O)c2cccnc2)CCN1C(=O)c1ccccc1.
What is the InChIKey of 1-benzoyl-N-(2-oxopiperidin-3-yl)-4-(pyridine-3-carbonyl)piperazine-2-carboxamide?
The InChIKey is HKZBXJWWJXLVRH-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H25N5O4/c29-20-18(9-5-11-25-20)26-21(30)19-15-27(22(31)17-8-4-10-24-14-17)12-13-28(19)23(32)16-6-2-1-3-7-16/h1-4,6-8,10,14,18-19H,5,9,11-13,15H2,(H,25,29)(H,26,30).
What are the key properties of 1-benzoyl-N-(2-oxopiperidin-3-yl)-4-(pyridine-3-carbonyl)piperazine-2-carboxamide?
1-benzoyl-N-(2-oxopiperidin-3-yl)-4-(pyridine-3-carbonyl)piperazine-2-carboxamide has a molecular weight of 435.48 g/mol, XLogP of 0.44, 4 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 1-benzoyl-N-(2-oxopiperidin-3-yl)-4-(pyridine-3-carbonyl)piperazine-2-carboxamide is sourced from PubChem (CID 73139587), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).