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

C25H30N6O4 — CID 163118923

IUPAC(2S)-1-[4-(dimethylamino)benzoyl]-N-[(3R)-2-oxopiperidin-3-yl]-4-(pyridine-3-carbonyl)piperazine-2-carboxamide
SMILESCN(C)c1ccc(C(=O)N2CCN(C(=O)c3cccnc3)C[C@H]2C(=O)N[C@@H]2CCCNC2=O)cc1
InChIInChI=1S/C25H30N6O4/c1-29(2)19-9-7-17(8-10-19)25(35)31-14-13-30(24(34)18-5-3-11-26-15-18)16-21(31)23(33)28-20-6-4-12-27-22(20)32/h3,5,7-11,15,20-21H,4,6,12-14,16H2,1-2H3,(H,27,32)(H,28,33)/t20-,21+/m1/s1
InChIKeyAUQCPUIEKCIEFY-RTWAWAEBSA-N
MW478.55 g/mol
LogP0.51
Rot. Bonds5

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

(2S)-1-[4-(dimethylamino)benzoyl]-N-[(3R)-2-oxopiperidin-3-yl]-4-(pyridine-3-carbonyl)piperazine-2-carboxamide (PubChem CID 163118923) has the molecular formula C25H30N6O4 and a molecular weight of 478.55 g/mol. Its IUPAC name is (2S)-1-[4-(dimethylamino)benzoyl]-N-[(3R)-2-oxopiperidin-3-yl]-4-(pyridine-3-carbonyl)piperazine-2-carboxamide.

Molecular Properties

Compound Name(2S)-1-[4-(dimethylamino)benzoyl]-N-[(3R)-2-oxopiperidin-3-yl]-4-(pyridine-3-carbonyl)piperazine-2-carboxamide
PubChem CID163118923
Molecular FormulaC25H30N6O4
Molecular Weight478.55 g/mol
Exact Mass478.23
IUPAC Name(2S)-1-[4-(dimethylamino)benzoyl]-N-[(3R)-2-oxopiperidin-3-yl]-4-(pyridine-3-carbonyl)piperazine-2-carboxamide
SMILESCN(C)c1ccc(C(=O)N2CCN(C(=O)c3cccnc3)C[C@H]2C(=O)N[C@@H]2CCCNC2=O)cc1
InChIInChI=1S/C25H30N6O4/c1-29(2)19-9-7-17(8-10-19)25(35)31-14-13-30(24(34)18-5-3-11-26-15-18)16-21(31)23(33)28-20-6-4-12-27-22(20)32/h3,5,7-11,15,20-21H,4,6,12-14,16H2,1-2H3,(H,27,32)(H,28,33)/t20-,21+/m1/s1
InChIKeyAUQCPUIEKCIEFY-RTWAWAEBSA-N
XLogP0.51
TPSA114.95 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds5
Heavy Atoms35
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500478.55
LogP ≤ 50.51
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

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

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Related Compounds

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
4-[4-(dimethylamino)benzoyl]-N-(2-oxopiperidin-3-yl)-1-(pyrazine-2-carbonyl)piperazine-2-carboxamide
CID 78520017
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
(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
(2S)-1-[4-(dimethylamino)benzoyl]-4-(2-methoxyacetyl)-N-[(3S)-2-oxopiperidin-3-yl]piperazine-2-carboxamide
CID 11911666
(2R)-4-[4-(dimethylamino)benzoyl]-N-[(3R)-2-oxopiperidin-3-yl]-1-[(4S)-1,3-thiazolidine-4-carbonyl]piperazine-2-carboxamide
CID 163136257
1-[4-(dimethylamino)benzoyl]-4-methylsulfonyl-N-(2-oxopiperidin-3-yl)piperazine-2-carboxamide
CID 162812005
(2R)-N-[(3R)-2-oxopiperidin-3-yl]-1-(pyridine-3-carbonyl)piperazine-2-carboxamide
CID 162806644
(3S)-4-benzoyl-3-N-[(3S)-2-oxopiperidin-3-yl]-1-N-propan-2-ylpiperazine-1,3-dicarboxamide
CID 7682191

Frequently Asked Questions

What is the IUPAC name of (2S)-1-[4-(dimethylamino)benzoyl]-N-[(3R)-2-oxopiperidin-3-yl]-4-(pyridine-3-carbonyl)piperazine-2-carboxamide?
The IUPAC name of (2S)-1-[4-(dimethylamino)benzoyl]-N-[(3R)-2-oxopiperidin-3-yl]-4-(pyridine-3-carbonyl)piperazine-2-carboxamide (CID 163118923) is (2S)-1-[4-(dimethylamino)benzoyl]-N-[(3R)-2-oxopiperidin-3-yl]-4-(pyridine-3-carbonyl)piperazine-2-carboxamide.
What is the SMILES notation for (2S)-1-[4-(dimethylamino)benzoyl]-N-[(3R)-2-oxopiperidin-3-yl]-4-(pyridine-3-carbonyl)piperazine-2-carboxamide?
The canonical SMILES for (2S)-1-[4-(dimethylamino)benzoyl]-N-[(3R)-2-oxopiperidin-3-yl]-4-(pyridine-3-carbonyl)piperazine-2-carboxamide is CN(C)c1ccc(C(=O)N2CCN(C(=O)c3cccnc3)C[C@H]2C(=O)N[C@@H]2CCCNC2=O)cc1.
What is the InChIKey of (2S)-1-[4-(dimethylamino)benzoyl]-N-[(3R)-2-oxopiperidin-3-yl]-4-(pyridine-3-carbonyl)piperazine-2-carboxamide?
The InChIKey is AUQCPUIEKCIEFY-RTWAWAEBSA-N. The full InChI is InChI=1S/C25H30N6O4/c1-29(2)19-9-7-17(8-10-19)25(35)31-14-13-30(24(34)18-5-3-11-26-15-18)16-21(31)23(33)28-20-6-4-12-27-22(20)32/h3,5,7-11,15,20-21H,4,6,12-14,16H2,1-2H3,(H,27,32)(H,28,33)/t20-,21+/m1/s1.
What are the key properties of (2S)-1-[4-(dimethylamino)benzoyl]-N-[(3R)-2-oxopiperidin-3-yl]-4-(pyridine-3-carbonyl)piperazine-2-carboxamide?
(2S)-1-[4-(dimethylamino)benzoyl]-N-[(3R)-2-oxopiperidin-3-yl]-4-(pyridine-3-carbonyl)piperazine-2-carboxamide has a molecular weight of 478.55 g/mol, XLogP of 0.51, 5 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for (2S)-1-[4-(dimethylamino)benzoyl]-N-[(3R)-2-oxopiperidin-3-yl]-4-(pyridine-3-carbonyl)piperazine-2-carboxamide is sourced from PubChem (CID 163118923), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).