5-oxo-5-[(2R)-2-[[(3S)-2-oxopiperidin-3-yl]carbamoyl]-4-(phenylcarbamoyl)piperazin-1-yl]pentanoic acid

C22H29N5O6 — CID 40534565

IUPAC5-oxo-5-[(2R)-2-[[(3S)-2-oxopiperidin-3-yl]carbamoyl]-4-(phenylcarbamoyl)piperazin-1-yl]pentanoic acid
SMILESO=C(O)CCCC(=O)N1CCN(C(=O)Nc2ccccc2)C[C@@H]1C(=O)N[C@H]1CCCNC1=O
InChIInChI=1S/C22H29N5O6/c28-18(9-4-10-19(29)30)27-13-12-26(22(33)24-15-6-2-1-3-7-15)14-17(27)21(32)25-16-8-5-11-23-20(16)31/h1-3,6-7,16-17H,4-5,8-14H2,(H,23,31)(H,24,33)(H,25,32)(H,29,30)/t16-,17+/m0/s1
InChIKeyHYRVRWSKGLYINV-DLBZAZTESA-N
MW459.50 g/mol
LogP0.38
Rot. Bonds7

About 5-oxo-5-[(2R)-2-[[(3S)-2-oxopiperidin-3-yl]carbamoyl]-4-(phenylcarbamoyl)piperazin-1-yl]pentanoic acid

5-oxo-5-[(2R)-2-[[(3S)-2-oxopiperidin-3-yl]carbamoyl]-4-(phenylcarbamoyl)piperazin-1-yl]pentanoic acid (PubChem CID 40534565) has the molecular formula C22H29N5O6 and a molecular weight of 459.50 g/mol. Its IUPAC name is 5-oxo-5-[(2R)-2-[[(3S)-2-oxopiperidin-3-yl]carbamoyl]-4-(phenylcarbamoyl)piperazin-1-yl]pentanoic acid.

Molecular Properties

Compound Name5-oxo-5-[(2R)-2-[[(3S)-2-oxopiperidin-3-yl]carbamoyl]-4-(phenylcarbamoyl)piperazin-1-yl]pentanoic acid
PubChem CID40534565
Molecular FormulaC22H29N5O6
Molecular Weight459.50 g/mol
Exact Mass459.21
IUPAC Name5-oxo-5-[(2R)-2-[[(3S)-2-oxopiperidin-3-yl]carbamoyl]-4-(phenylcarbamoyl)piperazin-1-yl]pentanoic acid
SMILESO=C(O)CCCC(=O)N1CCN(C(=O)Nc2ccccc2)C[C@@H]1C(=O)N[C@H]1CCCNC1=O
InChIInChI=1S/C22H29N5O6/c28-18(9-4-10-19(29)30)27-13-12-26(22(33)24-15-6-2-1-3-7-15)14-17(27)21(32)25-16-8-5-11-23-20(16)31/h1-3,6-7,16-17H,4-5,8-14H2,(H,23,31)(H,24,33)(H,25,32)(H,29,30)/t16-,17+/m0/s1
InChIKeyHYRVRWSKGLYINV-DLBZAZTESA-N
XLogP0.38
TPSA148.15 Ų
H-Bond Donors4
H-Bond Acceptors5
Rotatable Bonds7
Heavy Atoms33
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500459.50
LogP ≤ 50.38
H-Bond Donors ≤ 54
H-Bond Acceptors ≤ 105

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Related Compounds

4-acetyl-1-(2-methoxyacetyl)-N-(2-oxopiperidin-3-yl)piperazine-2-carboxamide
CID 78524418
(3S)-4-benzoyl-3-N-[(3S)-2-oxopiperidin-3-yl]-1-N-propan-2-ylpiperazine-1,3-dicarboxamide
CID 7682191
1-N-(3-methoxyphenyl)-3-N-(2-oxopiperidin-3-yl)-4-(pyrazine-2-carbonyl)piperazine-1,3-dicarboxamide
CID 78524400
(2S)-1,4-bis(cyclohexanecarbonyl)-N-[(3S)-2-oxopiperidin-3-yl]piperazine-2-carboxamide
CID 9419644
(2S)-1-(2-methoxyacetyl)-4-(4-methoxybenzoyl)-N-[(3R)-2-oxopiperidin-3-yl]piperazine-2-carboxamide
CID 163097256
4-(cyclohexanecarbonyl)-1-N-cyclohexyl-3-N-(2-oxopiperidin-3-yl)piperazine-1,3-dicarboxamide
CID 73139978
1-benzoyl-4-(morpholine-4-carbonyl)-N-(2-oxopiperidin-3-yl)piperazine-2-carboxamide
CID 73139967
(2R)-4-benzoyl-N-[(3R)-2-oxopiperidin-3-yl]-1-(pyridine-3-carbonyl)piperazine-2-carboxamide
CID 162802444
(2R)-1-(2-aminoacetyl)-4-(4-methoxybenzoyl)-N-[(3S)-2-oxopiperidin-3-yl]piperazine-2-carboxamide
CID 7682218
(3S)-1-N-(4-acetylphenyl)-4-methylsulfonyl-3-N-[(3R)-2-oxopiperidin-3-yl]piperazine-1,3-dicarboxamide
CID 163173679
(2R)-1-(cyclohexanecarbonyl)-N-[(3S)-2-oxopiperidin-3-yl]-4-(pyridine-3-carbonyl)piperazine-2-carboxamide
CID 7674390
(3R)-1-N-cyclohexyl-4-(4-methoxybenzoyl)-3-N-[(3S)-2-oxopiperidin-3-yl]piperazine-1,3-dicarboxamide
CID 11912207

Frequently Asked Questions

What is the IUPAC name of 5-oxo-5-[(2R)-2-[[(3S)-2-oxopiperidin-3-yl]carbamoyl]-4-(phenylcarbamoyl)piperazin-1-yl]pentanoic acid?
The IUPAC name of 5-oxo-5-[(2R)-2-[[(3S)-2-oxopiperidin-3-yl]carbamoyl]-4-(phenylcarbamoyl)piperazin-1-yl]pentanoic acid (CID 40534565) is 5-oxo-5-[(2R)-2-[[(3S)-2-oxopiperidin-3-yl]carbamoyl]-4-(phenylcarbamoyl)piperazin-1-yl]pentanoic acid.
What is the SMILES notation for 5-oxo-5-[(2R)-2-[[(3S)-2-oxopiperidin-3-yl]carbamoyl]-4-(phenylcarbamoyl)piperazin-1-yl]pentanoic acid?
The canonical SMILES for 5-oxo-5-[(2R)-2-[[(3S)-2-oxopiperidin-3-yl]carbamoyl]-4-(phenylcarbamoyl)piperazin-1-yl]pentanoic acid is O=C(O)CCCC(=O)N1CCN(C(=O)Nc2ccccc2)C[C@@H]1C(=O)N[C@H]1CCCNC1=O.
What is the InChIKey of 5-oxo-5-[(2R)-2-[[(3S)-2-oxopiperidin-3-yl]carbamoyl]-4-(phenylcarbamoyl)piperazin-1-yl]pentanoic acid?
The InChIKey is HYRVRWSKGLYINV-DLBZAZTESA-N. The full InChI is InChI=1S/C22H29N5O6/c28-18(9-4-10-19(29)30)27-13-12-26(22(33)24-15-6-2-1-3-7-15)14-17(27)21(32)25-16-8-5-11-23-20(16)31/h1-3,6-7,16-17H,4-5,8-14H2,(H,23,31)(H,24,33)(H,25,32)(H,29,30)/t16-,17+/m0/s1.
What are the key properties of 5-oxo-5-[(2R)-2-[[(3S)-2-oxopiperidin-3-yl]carbamoyl]-4-(phenylcarbamoyl)piperazin-1-yl]pentanoic acid?
5-oxo-5-[(2R)-2-[[(3S)-2-oxopiperidin-3-yl]carbamoyl]-4-(phenylcarbamoyl)piperazin-1-yl]pentanoic acid has a molecular weight of 459.50 g/mol, XLogP of 0.38, 7 rotatable bonds, 4 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 5-oxo-5-[(2R)-2-[[(3S)-2-oxopiperidin-3-yl]carbamoyl]-4-(phenylcarbamoyl)piperazin-1-yl]pentanoic acid is sourced from PubChem (CID 40534565), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).