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

C20H29N5O5S — CID 162812005

IUPAC1-[4-(dimethylamino)benzoyl]-4-methylsulfonyl-N-(2-oxopiperidin-3-yl)piperazine-2-carboxamide
SMILESCN(C)c1ccc(C(=O)N2CCN(S(C)(=O)=O)CC2C(=O)NC2CCCNC2=O)cc1
InChIInChI=1S/C20H29N5O5S/c1-23(2)15-8-6-14(7-9-15)20(28)25-12-11-24(31(3,29)30)13-17(25)19(27)22-16-5-4-10-21-18(16)26/h6-9,16-17H,4-5,10-13H2,1-3H3,(H,21,26)(H,22,27)
InChIKeyAAGRVGNYKKHFHY-UHFFFAOYSA-N
MW451.55 g/mol
LogP-0.77
Rot. Bonds5

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

1-[4-(dimethylamino)benzoyl]-4-methylsulfonyl-N-(2-oxopiperidin-3-yl)piperazine-2-carboxamide (PubChem CID 162812005) has the molecular formula C20H29N5O5S and a molecular weight of 451.55 g/mol. Its IUPAC name is 1-[4-(dimethylamino)benzoyl]-4-methylsulfonyl-N-(2-oxopiperidin-3-yl)piperazine-2-carboxamide.

Molecular Properties

Compound Name1-[4-(dimethylamino)benzoyl]-4-methylsulfonyl-N-(2-oxopiperidin-3-yl)piperazine-2-carboxamide
PubChem CID162812005
Molecular FormulaC20H29N5O5S
Molecular Weight451.55 g/mol
Exact Mass451.19
IUPAC Name1-[4-(dimethylamino)benzoyl]-4-methylsulfonyl-N-(2-oxopiperidin-3-yl)piperazine-2-carboxamide
SMILESCN(C)c1ccc(C(=O)N2CCN(S(C)(=O)=O)CC2C(=O)NC2CCCNC2=O)cc1
InChIInChI=1S/C20H29N5O5S/c1-23(2)15-8-6-14(7-9-15)20(28)25-12-11-24(31(3,29)30)13-17(25)19(27)22-16-5-4-10-21-18(16)26/h6-9,16-17H,4-5,10-13H2,1-3H3,(H,21,26)(H,22,27)
InChIKeyAAGRVGNYKKHFHY-UHFFFAOYSA-N
XLogP-0.77
TPSA119.13 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds5
Heavy Atoms31
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500451.55
LogP ≤ 5-0.77
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

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Related Compounds

(2R)-1-(4-methoxybenzoyl)-4-methylsulfonyl-N-[(3S)-2-oxopiperidin-3-yl]piperazine-2-carboxamide
CID 11912362
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)-1-[4-(dimethylamino)benzoyl]-4-(2-methoxyacetyl)-N-[(3S)-2-oxopiperidin-3-yl]piperazine-2-carboxamide
CID 11911666
(2S)-1-[4-(dimethylamino)benzoyl]-N-[(3R)-2-oxopiperidin-3-yl]-4-(pyridine-3-carbonyl)piperazine-2-carboxamide
CID 163118923
4-[4-(dimethylamino)benzoyl]-N-(2-oxopiperidin-3-yl)-1-(pyrazine-2-carbonyl)piperazine-2-carboxamide
CID 78520017
(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-fluorophenyl)sulfonyl-4-methylsulfonyl-N-(2-oxopiperidin-3-yl)piperazine-2-carboxamide
CID 78522962
(3S)-4-benzoyl-3-N-[(3S)-2-oxopiperidin-3-yl]-1-N-propan-2-ylpiperazine-1,3-dicarboxamide
CID 7682191
(2S)-1-(3-fluorobenzoyl)-4-(4-fluorophenyl)sulfonyl-N-[(3S)-2-oxopiperidin-3-yl]piperazine-2-carboxamide
CID 11912348
(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

Frequently Asked Questions

What is the IUPAC name of 1-[4-(dimethylamino)benzoyl]-4-methylsulfonyl-N-(2-oxopiperidin-3-yl)piperazine-2-carboxamide?
The IUPAC name of 1-[4-(dimethylamino)benzoyl]-4-methylsulfonyl-N-(2-oxopiperidin-3-yl)piperazine-2-carboxamide (CID 162812005) is 1-[4-(dimethylamino)benzoyl]-4-methylsulfonyl-N-(2-oxopiperidin-3-yl)piperazine-2-carboxamide.
What is the SMILES notation for 1-[4-(dimethylamino)benzoyl]-4-methylsulfonyl-N-(2-oxopiperidin-3-yl)piperazine-2-carboxamide?
The canonical SMILES for 1-[4-(dimethylamino)benzoyl]-4-methylsulfonyl-N-(2-oxopiperidin-3-yl)piperazine-2-carboxamide is CN(C)c1ccc(C(=O)N2CCN(S(C)(=O)=O)CC2C(=O)NC2CCCNC2=O)cc1.
What is the InChIKey of 1-[4-(dimethylamino)benzoyl]-4-methylsulfonyl-N-(2-oxopiperidin-3-yl)piperazine-2-carboxamide?
The InChIKey is AAGRVGNYKKHFHY-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H29N5O5S/c1-23(2)15-8-6-14(7-9-15)20(28)25-12-11-24(31(3,29)30)13-17(25)19(27)22-16-5-4-10-21-18(16)26/h6-9,16-17H,4-5,10-13H2,1-3H3,(H,21,26)(H,22,27).
What are the key properties of 1-[4-(dimethylamino)benzoyl]-4-methylsulfonyl-N-(2-oxopiperidin-3-yl)piperazine-2-carboxamide?
1-[4-(dimethylamino)benzoyl]-4-methylsulfonyl-N-(2-oxopiperidin-3-yl)piperazine-2-carboxamide has a molecular weight of 451.55 g/mol, XLogP of -0.77, 5 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[4-(dimethylamino)benzoyl]-4-methylsulfonyl-N-(2-oxopiperidin-3-yl)piperazine-2-carboxamide is sourced from PubChem (CID 162812005), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).