(2R)-1-(4-methoxybenzoyl)-4-methylsulfonyl-N-[(3S)-2-oxopiperidin-3-yl]piperazine-2-carboxamide

C19H26N4O6S — CID 11912362

IUPAC(2R)-1-(4-methoxybenzoyl)-4-methylsulfonyl-N-[(3S)-2-oxopiperidin-3-yl]piperazine-2-carboxamide
SMILESCOc1ccc(C(=O)N2CCN(S(C)(=O)=O)C[C@@H]2C(=O)N[C@H]2CCCNC2=O)cc1
InChIInChI=1S/C19H26N4O6S/c1-29-14-7-5-13(6-8-14)19(26)23-11-10-22(30(2,27)28)12-16(23)18(25)21-15-4-3-9-20-17(15)24/h5-8,15-16H,3-4,9-12H2,1-2H3,(H,20,24)(H,21,25)/t15-,16+/m0/s1
InChIKeyOWMAVPYGJAUCDJ-JKSUJKDBSA-N
MW438.51 g/mol
LogP-0.82
Rot. Bonds5

About (2R)-1-(4-methoxybenzoyl)-4-methylsulfonyl-N-[(3S)-2-oxopiperidin-3-yl]piperazine-2-carboxamide

(2R)-1-(4-methoxybenzoyl)-4-methylsulfonyl-N-[(3S)-2-oxopiperidin-3-yl]piperazine-2-carboxamide (PubChem CID 11912362) has the molecular formula C19H26N4O6S and a molecular weight of 438.51 g/mol. Its IUPAC name is (2R)-1-(4-methoxybenzoyl)-4-methylsulfonyl-N-[(3S)-2-oxopiperidin-3-yl]piperazine-2-carboxamide.

Molecular Properties

Compound Name(2R)-1-(4-methoxybenzoyl)-4-methylsulfonyl-N-[(3S)-2-oxopiperidin-3-yl]piperazine-2-carboxamide
PubChem CID11912362
Molecular FormulaC19H26N4O6S
Molecular Weight438.51 g/mol
Exact Mass438.16
IUPAC Name(2R)-1-(4-methoxybenzoyl)-4-methylsulfonyl-N-[(3S)-2-oxopiperidin-3-yl]piperazine-2-carboxamide
SMILESCOc1ccc(C(=O)N2CCN(S(C)(=O)=O)C[C@@H]2C(=O)N[C@H]2CCCNC2=O)cc1
InChIInChI=1S/C19H26N4O6S/c1-29-14-7-5-13(6-8-14)19(26)23-11-10-22(30(2,27)28)12-16(23)18(25)21-15-4-3-9-20-17(15)24/h5-8,15-16H,3-4,9-12H2,1-2H3,(H,20,24)(H,21,25)/t15-,16+/m0/s1
InChIKeyOWMAVPYGJAUCDJ-JKSUJKDBSA-N
XLogP-0.82
TPSA125.12 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds5
Heavy Atoms30
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500438.51
LogP ≤ 5-0.82
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

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Related Compounds

1-[4-(dimethylamino)benzoyl]-4-methylsulfonyl-N-(2-oxopiperidin-3-yl)piperazine-2-carboxamide
CID 162812005
(3R)-1-N-cyclohexyl-4-(4-methoxybenzoyl)-3-N-[(3S)-2-oxopiperidin-3-yl]piperazine-1,3-dicarboxamide
CID 11912207
(2R)-4-[4-(dimethylamino)benzoyl]-1-(4-methoxybenzoyl)-N-[(3S)-2-oxopiperidin-3-yl]piperazine-2-carboxamide
CID 9381953
1-(4-methoxybenzoyl)-N-(2-oxopiperidin-3-yl)-4-(piperidine-4-carbonyl)piperazine-2-carboxamide
CID 73139083
(2S)-1-(2-methoxyacetyl)-4-(4-methoxybenzoyl)-N-[(3R)-2-oxopiperidin-3-yl]piperazine-2-carboxamide
CID 163097256
(2R)-1-(2-aminoacetyl)-4-(4-methoxybenzoyl)-N-[(3S)-2-oxopiperidin-3-yl]piperazine-2-carboxamide
CID 7682218
(2R)-4-(4-methoxybenzoyl)-N-[(3S)-2-oxopiperidin-3-yl]piperazine-2-carboxamide
CID 7682216
1-(4-fluorophenyl)sulfonyl-4-methylsulfonyl-N-(2-oxopiperidin-3-yl)piperazine-2-carboxamide
CID 78522962
(2R)-1-(4-fluorophenyl)sulfonyl-4-methylsulfonyl-N-[(3R)-2-oxopiperidin-3-yl]piperazine-2-carboxamide
CID 162810420
(2S)-1-[4-(dimethylamino)benzoyl]-4-(2-methoxyacetyl)-N-[(3S)-2-oxopiperidin-3-yl]piperazine-2-carboxamide
CID 11911666
(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

Frequently Asked Questions

What is the IUPAC name of (2R)-1-(4-methoxybenzoyl)-4-methylsulfonyl-N-[(3S)-2-oxopiperidin-3-yl]piperazine-2-carboxamide?
The IUPAC name of (2R)-1-(4-methoxybenzoyl)-4-methylsulfonyl-N-[(3S)-2-oxopiperidin-3-yl]piperazine-2-carboxamide (CID 11912362) is (2R)-1-(4-methoxybenzoyl)-4-methylsulfonyl-N-[(3S)-2-oxopiperidin-3-yl]piperazine-2-carboxamide.
What is the SMILES notation for (2R)-1-(4-methoxybenzoyl)-4-methylsulfonyl-N-[(3S)-2-oxopiperidin-3-yl]piperazine-2-carboxamide?
The canonical SMILES for (2R)-1-(4-methoxybenzoyl)-4-methylsulfonyl-N-[(3S)-2-oxopiperidin-3-yl]piperazine-2-carboxamide is COc1ccc(C(=O)N2CCN(S(C)(=O)=O)C[C@@H]2C(=O)N[C@H]2CCCNC2=O)cc1.
What is the InChIKey of (2R)-1-(4-methoxybenzoyl)-4-methylsulfonyl-N-[(3S)-2-oxopiperidin-3-yl]piperazine-2-carboxamide?
The InChIKey is OWMAVPYGJAUCDJ-JKSUJKDBSA-N. The full InChI is InChI=1S/C19H26N4O6S/c1-29-14-7-5-13(6-8-14)19(26)23-11-10-22(30(2,27)28)12-16(23)18(25)21-15-4-3-9-20-17(15)24/h5-8,15-16H,3-4,9-12H2,1-2H3,(H,20,24)(H,21,25)/t15-,16+/m0/s1.
What are the key properties of (2R)-1-(4-methoxybenzoyl)-4-methylsulfonyl-N-[(3S)-2-oxopiperidin-3-yl]piperazine-2-carboxamide?
(2R)-1-(4-methoxybenzoyl)-4-methylsulfonyl-N-[(3S)-2-oxopiperidin-3-yl]piperazine-2-carboxamide has a molecular weight of 438.51 g/mol, XLogP of -0.82, 5 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for (2R)-1-(4-methoxybenzoyl)-4-methylsulfonyl-N-[(3S)-2-oxopiperidin-3-yl]piperazine-2-carboxamide is sourced from PubChem (CID 11912362), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).