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

C21H28N4O6 — CID 163097256

IUPAC(2S)-1-(2-methoxyacetyl)-4-(4-methoxybenzoyl)-N-[(3R)-2-oxopiperidin-3-yl]piperazine-2-carboxamide
SMILESCOCC(=O)N1CCN(C(=O)c2ccc(OC)cc2)C[C@H]1C(=O)N[C@@H]1CCCNC1=O
InChIInChI=1S/C21H28N4O6/c1-30-13-18(26)25-11-10-24(21(29)14-5-7-15(31-2)8-6-14)12-17(25)20(28)23-16-4-3-9-22-19(16)27/h5-8,16-17H,3-4,9-13H2,1-2H3,(H,22,27)(H,23,28)/t16-,17+/m1/s1
InChIKeyBOWIEVJUNIJGRY-SJORKVTESA-N
MW432.48 g/mol
LogP-0.61
Rot. Bonds6

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

(2S)-1-(2-methoxyacetyl)-4-(4-methoxybenzoyl)-N-[(3R)-2-oxopiperidin-3-yl]piperazine-2-carboxamide (PubChem CID 163097256) has the molecular formula C21H28N4O6 and a molecular weight of 432.48 g/mol. Its IUPAC name is (2S)-1-(2-methoxyacetyl)-4-(4-methoxybenzoyl)-N-[(3R)-2-oxopiperidin-3-yl]piperazine-2-carboxamide.

Molecular Properties

Compound Name(2S)-1-(2-methoxyacetyl)-4-(4-methoxybenzoyl)-N-[(3R)-2-oxopiperidin-3-yl]piperazine-2-carboxamide
PubChem CID163097256
Molecular FormulaC21H28N4O6
Molecular Weight432.48 g/mol
Exact Mass432.20
IUPAC Name(2S)-1-(2-methoxyacetyl)-4-(4-methoxybenzoyl)-N-[(3R)-2-oxopiperidin-3-yl]piperazine-2-carboxamide
SMILESCOCC(=O)N1CCN(C(=O)c2ccc(OC)cc2)C[C@H]1C(=O)N[C@@H]1CCCNC1=O
InChIInChI=1S/C21H28N4O6/c1-30-13-18(26)25-11-10-24(21(29)14-5-7-15(31-2)8-6-14)12-17(25)20(28)23-16-4-3-9-22-19(16)27/h5-8,16-17H,3-4,9-13H2,1-2H3,(H,22,27)(H,23,28)/t16-,17+/m1/s1
InChIKeyBOWIEVJUNIJGRY-SJORKVTESA-N
XLogP-0.61
TPSA117.28 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds6
Heavy Atoms31
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500432.48
LogP ≤ 5-0.61
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

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Related Compounds

(2R)-1-(2-aminoacetyl)-4-(4-methoxybenzoyl)-N-[(3S)-2-oxopiperidin-3-yl]piperazine-2-carboxamide
CID 7682218
(2R)-4-[4-(dimethylamino)benzoyl]-1-(4-methoxybenzoyl)-N-[(3S)-2-oxopiperidin-3-yl]piperazine-2-carboxamide
CID 9381953
4-acetyl-1-(2-methoxyacetyl)-N-(2-oxopiperidin-3-yl)piperazine-2-carboxamide
CID 78524418
(2S)-1-[4-(dimethylamino)benzoyl]-4-(2-methoxyacetyl)-N-[(3S)-2-oxopiperidin-3-yl]piperazine-2-carboxamide
CID 11911666
(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
(2R)-4-(4-methoxybenzoyl)-N-[(3S)-2-oxopiperidin-3-yl]piperazine-2-carboxamide
CID 7682216
(2R)-1-(4-methoxybenzoyl)-4-methylsulfonyl-N-[(3S)-2-oxopiperidin-3-yl]piperazine-2-carboxamide
CID 11912362
(2R)-4-(2-methoxyacetyl)-N-[(3R)-2-oxopiperidin-3-yl]-1-(pyrimidine-5-carbonyl)piperazine-2-carboxamide
CID 163158475
4-(4-cyanobenzoyl)-1-[4-(dimethylamino)benzoyl]-N-(2-oxopiperidin-3-yl)piperazine-2-carboxamide
CID 73138595
(3S)-4-benzoyl-3-N-[(3S)-2-oxopiperidin-3-yl]-1-N-propan-2-ylpiperazine-1,3-dicarboxamide
CID 7682191
(2S)-1-acetyl-N-[(3S)-2-oxopiperidin-3-yl]-4-(pyrimidine-5-carbonyl)piperazine-2-carboxamide
CID 11912338

Frequently Asked Questions

What is the IUPAC name of (2S)-1-(2-methoxyacetyl)-4-(4-methoxybenzoyl)-N-[(3R)-2-oxopiperidin-3-yl]piperazine-2-carboxamide?
The IUPAC name of (2S)-1-(2-methoxyacetyl)-4-(4-methoxybenzoyl)-N-[(3R)-2-oxopiperidin-3-yl]piperazine-2-carboxamide (CID 163097256) is (2S)-1-(2-methoxyacetyl)-4-(4-methoxybenzoyl)-N-[(3R)-2-oxopiperidin-3-yl]piperazine-2-carboxamide.
What is the SMILES notation for (2S)-1-(2-methoxyacetyl)-4-(4-methoxybenzoyl)-N-[(3R)-2-oxopiperidin-3-yl]piperazine-2-carboxamide?
The canonical SMILES for (2S)-1-(2-methoxyacetyl)-4-(4-methoxybenzoyl)-N-[(3R)-2-oxopiperidin-3-yl]piperazine-2-carboxamide is COCC(=O)N1CCN(C(=O)c2ccc(OC)cc2)C[C@H]1C(=O)N[C@@H]1CCCNC1=O.
What is the InChIKey of (2S)-1-(2-methoxyacetyl)-4-(4-methoxybenzoyl)-N-[(3R)-2-oxopiperidin-3-yl]piperazine-2-carboxamide?
The InChIKey is BOWIEVJUNIJGRY-SJORKVTESA-N. The full InChI is InChI=1S/C21H28N4O6/c1-30-13-18(26)25-11-10-24(21(29)14-5-7-15(31-2)8-6-14)12-17(25)20(28)23-16-4-3-9-22-19(16)27/h5-8,16-17H,3-4,9-13H2,1-2H3,(H,22,27)(H,23,28)/t16-,17+/m1/s1.
What are the key properties of (2S)-1-(2-methoxyacetyl)-4-(4-methoxybenzoyl)-N-[(3R)-2-oxopiperidin-3-yl]piperazine-2-carboxamide?
(2S)-1-(2-methoxyacetyl)-4-(4-methoxybenzoyl)-N-[(3R)-2-oxopiperidin-3-yl]piperazine-2-carboxamide has a molecular weight of 432.48 g/mol, XLogP of -0.61, 6 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for (2S)-1-(2-methoxyacetyl)-4-(4-methoxybenzoyl)-N-[(3R)-2-oxopiperidin-3-yl]piperazine-2-carboxamide is sourced from PubChem (CID 163097256), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).