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

C27H33N5O5 — CID 9381953

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

(2R)-4-[4-(dimethylamino)benzoyl]-1-(4-methoxybenzoyl)-N-[(3S)-2-oxopiperidin-3-yl]piperazine-2-carboxamide (PubChem CID 9381953) has the molecular formula C27H33N5O5 and a molecular weight of 507.59 g/mol. Its IUPAC name is (2R)-4-[4-(dimethylamino)benzoyl]-1-(4-methoxybenzoyl)-N-[(3S)-2-oxopiperidin-3-yl]piperazine-2-carboxamide.

Molecular Properties

• Compound Name: (2R)-4-[4-(dimethylamino)benzoyl]-1-(4-methoxybenzoyl)-N-[(3S)-2-oxopiperidin-3-yl]piperazine-2-carboxamide
• PubChem CID: 9381953
• Molecular Formula: C27H33N5O5
• Molecular Weight: 507.59 g/mol
• Exact Mass: 507.25
• IUPAC Name: (2R)-4-[4-(dimethylamino)benzoyl]-1-(4-methoxybenzoyl)-N-[(3S)-2-oxopiperidin-3-yl]piperazine-2-carboxamide
• SMILES: COc1ccc(C(=O)N2CCN(C(=O)c3ccc(N(C)C)cc3)C[C@@H]2C(=O)N[C@H]2CCCNC2=O)cc1
• InChI: InChI=1S/C27H33N5O5/c1-30(2)20-10-6-18(7-11-20)26(35)31-15-16-32(27(36)19-8-12-21(37-3)13-9-19)23(17-31)25(34)29-22-5-4-14-28-24(22)33/h6-13,22-23H,4-5,14-17H2,1-3H3,(H,28,33)(H,29,34)/t22-,23+/m0/s1
• InChIKey: RYFASZBYDMJPRL-XZOQPEGZSA-N
• XLogP: 1.12
• TPSA: 111.29 Ų
• H-Bond Donors: 2
• H-Bond Acceptors: 6
• Rotatable Bonds: 6
• Heavy Atoms: 37
• Complexity: —

Lipinski Rule of Five

1 violation

Rule	Value
MW ≤ 500	507.59
LogP ≤ 5	1.12
H-Bond Donors ≤ 5	2
H-Bond Acceptors ≤ 10	6

Frequently Asked Questions

What is the IUPAC name of (2R)-4-[4-(dimethylamino)benzoyl]-1-(4-methoxybenzoyl)-N-[(3S)-2-oxopiperidin-3-yl]piperazine-2-carboxamide?

The IUPAC name of (2R)-4-[4-(dimethylamino)benzoyl]-1-(4-methoxybenzoyl)-N-[(3S)-2-oxopiperidin-3-yl]piperazine-2-carboxamide (CID 9381953) is (2R)-4-[4-(dimethylamino)benzoyl]-1-(4-methoxybenzoyl)-N-[(3S)-2-oxopiperidin-3-yl]piperazine-2-carboxamide.

What is the SMILES notation for (2R)-4-[4-(dimethylamino)benzoyl]-1-(4-methoxybenzoyl)-N-[(3S)-2-oxopiperidin-3-yl]piperazine-2-carboxamide?

The canonical SMILES for (2R)-4-[4-(dimethylamino)benzoyl]-1-(4-methoxybenzoyl)-N-[(3S)-2-oxopiperidin-3-yl]piperazine-2-carboxamide is COc1ccc(C(=O)N2CCN(C(=O)c3ccc(N(C)C)cc3)C[C@@H]2C(=O)N[C@H]2CCCNC2=O)cc1.

What is the InChIKey of (2R)-4-[4-(dimethylamino)benzoyl]-1-(4-methoxybenzoyl)-N-[(3S)-2-oxopiperidin-3-yl]piperazine-2-carboxamide?

The InChIKey is RYFASZBYDMJPRL-XZOQPEGZSA-N. The full InChI is InChI=1S/C27H33N5O5/c1-30(2)20-10-6-18(7-11-20)26(35)31-15-16-32(27(36)19-8-12-21(37-3)13-9-19)23(17-31)25(34)29-22-5-4-14-28-24(22)33/h6-13,22-23H,4-5,14-17H2,1-3H3,(H,28,33)(H,29,34)/t22-,23+/m0/s1.

What are the key properties of (2R)-4-[4-(dimethylamino)benzoyl]-1-(4-methoxybenzoyl)-N-[(3S)-2-oxopiperidin-3-yl]piperazine-2-carboxamide?

(2R)-4-[4-(dimethylamino)benzoyl]-1-(4-methoxybenzoyl)-N-[(3S)-2-oxopiperidin-3-yl]piperazine-2-carboxamide has a molecular weight of 507.59 g/mol, XLogP of 1.12, 6 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.

Where does this data come from?

All data for (2R)-4-[4-(dimethylamino)benzoyl]-1-(4-methoxybenzoyl)-N-[(3S)-2-oxopiperidin-3-yl]piperazine-2-carboxamide is sourced from PubChem (CID 9381953), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).