4-[3-[3,5-dioxo-4-[(4-propan-2-ylpiperidin-1-yl)methyl]piperazin-1-yl]butan-2-yl]-1-[(4-propan-2-ylpiperidin-1-yl)methyl]piperazine-2,6-dione

C30H52N6O4 — CID 19843399

IUPAC4-[3-[3,5-dioxo-4-[(4-propan-2-ylpiperidin-1-yl)methyl]piperazin-1-yl]butan-2-yl]-1-[(4-propan-2-ylpiperidin-1-yl)methyl]piperazine-2,6-dione
SMILESCC(C)C1CCN(CN2C(=O)CN(C(C)C(C)N3CC(=O)N(CN4CCC(C(C)C)CC4)C(=O)C3)CC2=O)CC1
InChIInChI=1S/C30H52N6O4/c1-21(2)25-7-11-31(12-8-25)19-35-27(37)15-33(16-28(35)38)23(5)24(6)34-17-29(39)36(30(40)18-34)20-32-13-9-26(10-14-32)22(3)4/h21-26H,7-20H2,1-6H3
InChIKeyVGHKYIKZTDBJMY-UHFFFAOYSA-N
MW560.78 g/mol
LogP1.76
Rot. Bonds9

About 4-[3-[3,5-dioxo-4-[(4-propan-2-ylpiperidin-1-yl)methyl]piperazin-1-yl]butan-2-yl]-1-[(4-propan-2-ylpiperidin-1-yl)methyl]piperazine-2,6-dione

4-[3-[3,5-dioxo-4-[(4-propan-2-ylpiperidin-1-yl)methyl]piperazin-1-yl]butan-2-yl]-1-[(4-propan-2-ylpiperidin-1-yl)methyl]piperazine-2,6-dione (PubChem CID 19843399) has the molecular formula C30H52N6O4 and a molecular weight of 560.78 g/mol. Its IUPAC name is 4-[3-[3,5-dioxo-4-[(4-propan-2-ylpiperidin-1-yl)methyl]piperazin-1-yl]butan-2-yl]-1-[(4-propan-2-ylpiperidin-1-yl)methyl]piperazine-2,6-dione.

Molecular Properties

Compound Name4-[3-[3,5-dioxo-4-[(4-propan-2-ylpiperidin-1-yl)methyl]piperazin-1-yl]butan-2-yl]-1-[(4-propan-2-ylpiperidin-1-yl)methyl]piperazine-2,6-dione
PubChem CID19843399
Molecular FormulaC30H52N6O4
Molecular Weight560.78 g/mol
Exact Mass560.41
IUPAC Name4-[3-[3,5-dioxo-4-[(4-propan-2-ylpiperidin-1-yl)methyl]piperazin-1-yl]butan-2-yl]-1-[(4-propan-2-ylpiperidin-1-yl)methyl]piperazine-2,6-dione
SMILESCC(C)C1CCN(CN2C(=O)CN(C(C)C(C)N3CC(=O)N(CN4CCC(C(C)C)CC4)C(=O)C3)CC2=O)CC1
InChIInChI=1S/C30H52N6O4/c1-21(2)25-7-11-31(12-8-25)19-35-27(37)15-33(16-28(35)38)23(5)24(6)34-17-29(39)36(30(40)18-34)20-32-13-9-26(10-14-32)22(3)4/h21-26H,7-20H2,1-6H3
InChIKeyVGHKYIKZTDBJMY-UHFFFAOYSA-N
XLogP1.76
TPSA87.72 Ų
H-Bond Donors
H-Bond Acceptors8
Rotatable Bonds9
Heavy Atoms40
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500560.78
LogP ≤ 51.76
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 108

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'phthalimide', 'substructure': 'N/A'}

Analyze 4-[3-[3,5-dioxo-4-[(4-propan-2-ylpiperidin-1-yl)methyl]piperazin-1-yl]butan-2-yl]-1-[(4-propan-2-ylpiperidin-1-yl)methyl]piperazine-2,6-dione with MolForge

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Frequently Asked Questions

What is the IUPAC name of 4-[3-[3,5-dioxo-4-[(4-propan-2-ylpiperidin-1-yl)methyl]piperazin-1-yl]butan-2-yl]-1-[(4-propan-2-ylpiperidin-1-yl)methyl]piperazine-2,6-dione?
The IUPAC name of 4-[3-[3,5-dioxo-4-[(4-propan-2-ylpiperidin-1-yl)methyl]piperazin-1-yl]butan-2-yl]-1-[(4-propan-2-ylpiperidin-1-yl)methyl]piperazine-2,6-dione (CID 19843399) is 4-[3-[3,5-dioxo-4-[(4-propan-2-ylpiperidin-1-yl)methyl]piperazin-1-yl]butan-2-yl]-1-[(4-propan-2-ylpiperidin-1-yl)methyl]piperazine-2,6-dione.
What is the SMILES notation for 4-[3-[3,5-dioxo-4-[(4-propan-2-ylpiperidin-1-yl)methyl]piperazin-1-yl]butan-2-yl]-1-[(4-propan-2-ylpiperidin-1-yl)methyl]piperazine-2,6-dione?
The canonical SMILES for 4-[3-[3,5-dioxo-4-[(4-propan-2-ylpiperidin-1-yl)methyl]piperazin-1-yl]butan-2-yl]-1-[(4-propan-2-ylpiperidin-1-yl)methyl]piperazine-2,6-dione is CC(C)C1CCN(CN2C(=O)CN(C(C)C(C)N3CC(=O)N(CN4CCC(C(C)C)CC4)C(=O)C3)CC2=O)CC1.
What is the InChIKey of 4-[3-[3,5-dioxo-4-[(4-propan-2-ylpiperidin-1-yl)methyl]piperazin-1-yl]butan-2-yl]-1-[(4-propan-2-ylpiperidin-1-yl)methyl]piperazine-2,6-dione?
The InChIKey is VGHKYIKZTDBJMY-UHFFFAOYSA-N. The full InChI is InChI=1S/C30H52N6O4/c1-21(2)25-7-11-31(12-8-25)19-35-27(37)15-33(16-28(35)38)23(5)24(6)34-17-29(39)36(30(40)18-34)20-32-13-9-26(10-14-32)22(3)4/h21-26H,7-20H2,1-6H3.
What are the key properties of 4-[3-[3,5-dioxo-4-[(4-propan-2-ylpiperidin-1-yl)methyl]piperazin-1-yl]butan-2-yl]-1-[(4-propan-2-ylpiperidin-1-yl)methyl]piperazine-2,6-dione?
4-[3-[3,5-dioxo-4-[(4-propan-2-ylpiperidin-1-yl)methyl]piperazin-1-yl]butan-2-yl]-1-[(4-propan-2-ylpiperidin-1-yl)methyl]piperazine-2,6-dione has a molecular weight of 560.78 g/mol, XLogP of 1.76, 9 rotatable bonds, 0 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[3-[3,5-dioxo-4-[(4-propan-2-ylpiperidin-1-yl)methyl]piperazin-1-yl]butan-2-yl]-1-[(4-propan-2-ylpiperidin-1-yl)methyl]piperazine-2,6-dione is sourced from PubChem (CID 19843399), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).