1-[13-(4-carboxypiperidin-1-yl)-5,7,12,14-tetraoxo-6,13-diazatetracyclo[6.6.2.04,16.011,15]hexadeca-1(15),2,4(16),8,10-pentaen-6-yl]piperidine-4-carboxylic acid

C26H24N4O8 — CID 118201227

IUPAC1-[13-(4-carboxypiperidin-1-yl)-5,7,12,14-tetraoxo-6,13-diazatetracyclo[6.6.2.04,16.011,15]hexadeca-1(15),2,4(16),8,10-pentaen-6-yl]piperidine-4-carboxylic acid
SMILESO=C(O)C1CCN(N2C(=O)c3ccc4c5c(ccc(c35)C2=O)C(=O)N(N2CCC(C(=O)O)CC2)C4=O)CC1
InChIInChI=1S/C26H24N4O8/c31-21-15-1-2-16-20-18(24(34)30(22(16)32)28-11-7-14(8-12-28)26(37)38)4-3-17(19(15)20)23(33)29(21)27-9-5-13(6-10-27)25(35)36/h1-4,13-14H,5-12H2,(H,35,36)(H,37,38)
InChIKeyCNNNALUHZPSMPF-UHFFFAOYSA-N
MW520.50 g/mol
LogP1.46
Rot. Bonds4

About 1-[13-(4-carboxypiperidin-1-yl)-5,7,12,14-tetraoxo-6,13-diazatetracyclo[6.6.2.04,16.011,15]hexadeca-1(15),2,4(16),8,10-pentaen-6-yl]piperidine-4-carboxylic acid

1-[13-(4-carboxypiperidin-1-yl)-5,7,12,14-tetraoxo-6,13-diazatetracyclo[6.6.2.04,16.011,15]hexadeca-1(15),2,4(16),8,10-pentaen-6-yl]piperidine-4-carboxylic acid (PubChem CID 118201227) has the molecular formula C26H24N4O8 and a molecular weight of 520.50 g/mol. Its IUPAC name is 1-[13-(4-carboxypiperidin-1-yl)-5,7,12,14-tetraoxo-6,13-diazatetracyclo[6.6.2.04,16.011,15]hexadeca-1(15),2,4(16),8,10-pentaen-6-yl]piperidine-4-carboxylic acid.

Molecular Properties

Compound Name1-[13-(4-carboxypiperidin-1-yl)-5,7,12,14-tetraoxo-6,13-diazatetracyclo[6.6.2.04,16.011,15]hexadeca-1(15),2,4(16),8,10-pentaen-6-yl]piperidine-4-carboxylic acid
PubChem CID118201227
Molecular FormulaC26H24N4O8
Molecular Weight520.50 g/mol
Exact Mass520.16
IUPAC Name1-[13-(4-carboxypiperidin-1-yl)-5,7,12,14-tetraoxo-6,13-diazatetracyclo[6.6.2.04,16.011,15]hexadeca-1(15),2,4(16),8,10-pentaen-6-yl]piperidine-4-carboxylic acid
SMILESO=C(O)C1CCN(N2C(=O)c3ccc4c5c(ccc(c35)C2=O)C(=O)N(N2CCC(C(=O)O)CC2)C4=O)CC1
InChIInChI=1S/C26H24N4O8/c31-21-15-1-2-16-20-18(24(34)30(22(16)32)28-11-7-14(8-12-28)26(37)38)4-3-17(19(15)20)23(33)29(21)27-9-5-13(6-10-27)25(35)36/h1-4,13-14H,5-12H2,(H,35,36)(H,37,38)
InChIKeyCNNNALUHZPSMPF-UHFFFAOYSA-N
XLogP1.46
TPSA155.84 Ų
H-Bond Donors2
H-Bond Acceptors8
Rotatable Bonds4
Heavy Atoms38
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500520.50
LogP ≤ 51.46
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 108

Computed Properties (RDKit)

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

Analyze 1-[13-(4-carboxypiperidin-1-yl)-5,7,12,14-tetraoxo-6,13-diazatetracyclo[6.6.2.04,16.011,15]hexadeca-1(15),2,4(16),8,10-pentaen-6-yl]piperidine-4-carboxylic acid with MolForge

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Frequently Asked Questions

What is the IUPAC name of 1-[13-(4-carboxypiperidin-1-yl)-5,7,12,14-tetraoxo-6,13-diazatetracyclo[6.6.2.04,16.011,15]hexadeca-1(15),2,4(16),8,10-pentaen-6-yl]piperidine-4-carboxylic acid?
The IUPAC name of 1-[13-(4-carboxypiperidin-1-yl)-5,7,12,14-tetraoxo-6,13-diazatetracyclo[6.6.2.04,16.011,15]hexadeca-1(15),2,4(16),8,10-pentaen-6-yl]piperidine-4-carboxylic acid (CID 118201227) is 1-[13-(4-carboxypiperidin-1-yl)-5,7,12,14-tetraoxo-6,13-diazatetracyclo[6.6.2.04,16.011,15]hexadeca-1(15),2,4(16),8,10-pentaen-6-yl]piperidine-4-carboxylic acid.
What is the SMILES notation for 1-[13-(4-carboxypiperidin-1-yl)-5,7,12,14-tetraoxo-6,13-diazatetracyclo[6.6.2.04,16.011,15]hexadeca-1(15),2,4(16),8,10-pentaen-6-yl]piperidine-4-carboxylic acid?
The canonical SMILES for 1-[13-(4-carboxypiperidin-1-yl)-5,7,12,14-tetraoxo-6,13-diazatetracyclo[6.6.2.04,16.011,15]hexadeca-1(15),2,4(16),8,10-pentaen-6-yl]piperidine-4-carboxylic acid is O=C(O)C1CCN(N2C(=O)c3ccc4c5c(ccc(c35)C2=O)C(=O)N(N2CCC(C(=O)O)CC2)C4=O)CC1.
What is the InChIKey of 1-[13-(4-carboxypiperidin-1-yl)-5,7,12,14-tetraoxo-6,13-diazatetracyclo[6.6.2.04,16.011,15]hexadeca-1(15),2,4(16),8,10-pentaen-6-yl]piperidine-4-carboxylic acid?
The InChIKey is CNNNALUHZPSMPF-UHFFFAOYSA-N. The full InChI is InChI=1S/C26H24N4O8/c31-21-15-1-2-16-20-18(24(34)30(22(16)32)28-11-7-14(8-12-28)26(37)38)4-3-17(19(15)20)23(33)29(21)27-9-5-13(6-10-27)25(35)36/h1-4,13-14H,5-12H2,(H,35,36)(H,37,38).
What are the key properties of 1-[13-(4-carboxypiperidin-1-yl)-5,7,12,14-tetraoxo-6,13-diazatetracyclo[6.6.2.04,16.011,15]hexadeca-1(15),2,4(16),8,10-pentaen-6-yl]piperidine-4-carboxylic acid?
1-[13-(4-carboxypiperidin-1-yl)-5,7,12,14-tetraoxo-6,13-diazatetracyclo[6.6.2.04,16.011,15]hexadeca-1(15),2,4(16),8,10-pentaen-6-yl]piperidine-4-carboxylic acid has a molecular weight of 520.50 g/mol, XLogP of 1.46, 4 rotatable bonds, 2 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[13-(4-carboxypiperidin-1-yl)-5,7,12,14-tetraoxo-6,13-diazatetracyclo[6.6.2.04,16.011,15]hexadeca-1(15),2,4(16),8,10-pentaen-6-yl]piperidine-4-carboxylic acid is sourced from PubChem (CID 118201227), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).