N-(2,6-dioxopiperidin-3-yl)-4-[4-[1-[1-[4-[(1R,2S)-6-hydroxy-2-phenyl-1,2,3,4-tetrahydronaphthalen-1-yl]phenyl]piperidine-4-carbonyl]piperidin-4-yl]piperazin-1-yl]benzamide

C49H56N6O5 — CID 169268264

IUPACN-(2,6-dioxopiperidin-3-yl)-4-[4-[1-[1-[4-[(1R,2S)-6-hydroxy-2-phenyl-1,2,3,4-tetrahydronaphthalen-1-yl]phenyl]piperidine-4-carbonyl]piperidin-4-yl]piperazin-1-yl]benzamide
SMILESO=C1CCC(NC(=O)c2ccc(N3CCN(C4CCN(C(=O)C5CCN(c6ccc([C@@H]7c8ccc(O)cc8CC[C@@H]7c7ccccc7)cc6)CC5)CC4)CC3)cc2)C(=O)N1
InChIInChI=1S/C49H56N6O5/c56-41-15-17-43-37(32-41)10-16-42(33-4-2-1-3-5-33)46(43)34-6-11-38(12-7-34)52-24-20-36(21-25-52)49(60)55-26-22-40(23-27-55)54-30-28-53(29-31-54)39-13-8-35(9-14-39)47(58)50-44-18-19-45(57)51-48(44)59/h1-9,11-15,17,32,36,40,42,44,46,56H,10,16,18-31H2,(H,50,58)(H,51,57,59)/t42-,44?,46+/m1/s1
InChIKeyUVBGEERXTZNQCS-NDXGFXIJSA-N
MW809.02 g/mol
LogP5.82
Rot. Bonds8

About N-(2,6-dioxopiperidin-3-yl)-4-[4-[1-[1-[4-[(1R,2S)-6-hydroxy-2-phenyl-1,2,3,4-tetrahydronaphthalen-1-yl]phenyl]piperidine-4-carbonyl]piperidin-4-yl]piperazin-1-yl]benzamide

N-(2,6-dioxopiperidin-3-yl)-4-[4-[1-[1-[4-[(1R,2S)-6-hydroxy-2-phenyl-1,2,3,4-tetrahydronaphthalen-1-yl]phenyl]piperidine-4-carbonyl]piperidin-4-yl]piperazin-1-yl]benzamide (PubChem CID 169268264) has the molecular formula C49H56N6O5 and a molecular weight of 809.02 g/mol. Its IUPAC name is N-(2,6-dioxopiperidin-3-yl)-4-[4-[1-[1-[4-[(1R,2S)-6-hydroxy-2-phenyl-1,2,3,4-tetrahydronaphthalen-1-yl]phenyl]piperidine-4-carbonyl]piperidin-4-yl]piperazin-1-yl]benzamide.

Molecular Properties

Compound NameN-(2,6-dioxopiperidin-3-yl)-4-[4-[1-[1-[4-[(1R,2S)-6-hydroxy-2-phenyl-1,2,3,4-tetrahydronaphthalen-1-yl]phenyl]piperidine-4-carbonyl]piperidin-4-yl]piperazin-1-yl]benzamide
PubChem CID169268264
Molecular FormulaC49H56N6O5
Molecular Weight809.02 g/mol
Exact Mass808.43
IUPAC NameN-(2,6-dioxopiperidin-3-yl)-4-[4-[1-[1-[4-[(1R,2S)-6-hydroxy-2-phenyl-1,2,3,4-tetrahydronaphthalen-1-yl]phenyl]piperidine-4-carbonyl]piperidin-4-yl]piperazin-1-yl]benzamide
SMILESO=C1CCC(NC(=O)c2ccc(N3CCN(C4CCN(C(=O)C5CCN(c6ccc([C@@H]7c8ccc(O)cc8CC[C@@H]7c7ccccc7)cc6)CC5)CC4)CC3)cc2)C(=O)N1
InChIInChI=1S/C49H56N6O5/c56-41-15-17-43-37(32-41)10-16-42(33-4-2-1-3-5-33)46(43)34-6-11-38(12-7-34)52-24-20-36(21-25-52)49(60)55-26-22-40(23-27-55)54-30-28-53(29-31-54)39-13-8-35(9-14-39)47(58)50-44-18-19-45(57)51-48(44)59/h1-9,11-15,17,32,36,40,42,44,46,56H,10,16,18-31H2,(H,50,58)(H,51,57,59)/t42-,44?,46+/m1/s1
InChIKeyUVBGEERXTZNQCS-NDXGFXIJSA-N
XLogP5.82
TPSA125.53 Ų
H-Bond Donors3
H-Bond Acceptors8
Rotatable Bonds8
Heavy Atoms60
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500809.02
LogP ≤ 55.82
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 108

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'anil_di_alk_E(186)', 'substructure': 'N/A'}, {'alert_name': 'phthalimide', 'substructure': 'N/A'}

Analyze N-(2,6-dioxopiperidin-3-yl)-4-[4-[1-[1-[4-[(1R,2S)-6-hydroxy-2-phenyl-1,2,3,4-tetrahydronaphthalen-1-yl]phenyl]piperidine-4-carbonyl]piperidin-4-yl]piperazin-1-yl]benzamide with MolForge

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Frequently Asked Questions

What is the IUPAC name of N-(2,6-dioxopiperidin-3-yl)-4-[4-[1-[1-[4-[(1R,2S)-6-hydroxy-2-phenyl-1,2,3,4-tetrahydronaphthalen-1-yl]phenyl]piperidine-4-carbonyl]piperidin-4-yl]piperazin-1-yl]benzamide?
The IUPAC name of N-(2,6-dioxopiperidin-3-yl)-4-[4-[1-[1-[4-[(1R,2S)-6-hydroxy-2-phenyl-1,2,3,4-tetrahydronaphthalen-1-yl]phenyl]piperidine-4-carbonyl]piperidin-4-yl]piperazin-1-yl]benzamide (CID 169268264) is N-(2,6-dioxopiperidin-3-yl)-4-[4-[1-[1-[4-[(1R,2S)-6-hydroxy-2-phenyl-1,2,3,4-tetrahydronaphthalen-1-yl]phenyl]piperidine-4-carbonyl]piperidin-4-yl]piperazin-1-yl]benzamide.
What is the SMILES notation for N-(2,6-dioxopiperidin-3-yl)-4-[4-[1-[1-[4-[(1R,2S)-6-hydroxy-2-phenyl-1,2,3,4-tetrahydronaphthalen-1-yl]phenyl]piperidine-4-carbonyl]piperidin-4-yl]piperazin-1-yl]benzamide?
The canonical SMILES for N-(2,6-dioxopiperidin-3-yl)-4-[4-[1-[1-[4-[(1R,2S)-6-hydroxy-2-phenyl-1,2,3,4-tetrahydronaphthalen-1-yl]phenyl]piperidine-4-carbonyl]piperidin-4-yl]piperazin-1-yl]benzamide is O=C1CCC(NC(=O)c2ccc(N3CCN(C4CCN(C(=O)C5CCN(c6ccc([C@@H]7c8ccc(O)cc8CC[C@@H]7c7ccccc7)cc6)CC5)CC4)CC3)cc2)C(=O)N1.
What is the InChIKey of N-(2,6-dioxopiperidin-3-yl)-4-[4-[1-[1-[4-[(1R,2S)-6-hydroxy-2-phenyl-1,2,3,4-tetrahydronaphthalen-1-yl]phenyl]piperidine-4-carbonyl]piperidin-4-yl]piperazin-1-yl]benzamide?
The InChIKey is UVBGEERXTZNQCS-NDXGFXIJSA-N. The full InChI is InChI=1S/C49H56N6O5/c56-41-15-17-43-37(32-41)10-16-42(33-4-2-1-3-5-33)46(43)34-6-11-38(12-7-34)52-24-20-36(21-25-52)49(60)55-26-22-40(23-27-55)54-30-28-53(29-31-54)39-13-8-35(9-14-39)47(58)50-44-18-19-45(57)51-48(44)59/h1-9,11-15,17,32,36,40,42,44,46,56H,10,16,18-31H2,(H,50,58)(H,51,57,59)/t42-,44?,46+/m1/s1.
What are the key properties of N-(2,6-dioxopiperidin-3-yl)-4-[4-[1-[1-[4-[(1R,2S)-6-hydroxy-2-phenyl-1,2,3,4-tetrahydronaphthalen-1-yl]phenyl]piperidine-4-carbonyl]piperidin-4-yl]piperazin-1-yl]benzamide?
N-(2,6-dioxopiperidin-3-yl)-4-[4-[1-[1-[4-[(1R,2S)-6-hydroxy-2-phenyl-1,2,3,4-tetrahydronaphthalen-1-yl]phenyl]piperidine-4-carbonyl]piperidin-4-yl]piperazin-1-yl]benzamide has a molecular weight of 809.02 g/mol, XLogP of 5.82, 8 rotatable bonds, 3 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for N-(2,6-dioxopiperidin-3-yl)-4-[4-[1-[1-[4-[(1R,2S)-6-hydroxy-2-phenyl-1,2,3,4-tetrahydronaphthalen-1-yl]phenyl]piperidine-4-carbonyl]piperidin-4-yl]piperazin-1-yl]benzamide is sourced from PubChem (CID 169268264), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).