N-[[3-[[[2-[4-[[4-[2-(2,6-dioxopiperidin-3-yl)-1-oxo-3H-isoindol-5-yl]piperazin-1-yl]methyl]piperidin-1-yl]acetyl]amino]methyl]phenyl]methyl]-5-[4-(trifluoromethyl)phenoxy]naphthalene-2-carboxamide

C51H52F3N7O6 — CID 177202329

IUPACN-[[3-[[[2-[4-[[4-[2-(2,6-dioxopiperidin-3-yl)-1-oxo-3H-isoindol-5-yl]piperazin-1-yl]methyl]piperidin-1-yl]acetyl]amino]methyl]phenyl]methyl]-5-[4-(trifluoromethyl)phenoxy]naphthalene-2-carboxamide
SMILESO=C(CN1CCC(CN2CCN(c3ccc4c(c3)CN(C3CCC(=O)NC3=O)C4=O)CC2)CC1)NCc1cccc(CNC(=O)c2ccc3c(Oc4ccc(C(F)(F)F)cc4)cccc3c2)c1
InChIInChI=1S/C51H52F3N7O6/c52-51(53,54)39-8-11-41(12-9-39)67-45-6-2-5-36-26-37(7-13-42(36)45)48(64)56-29-35-4-1-3-34(25-35)28-55-47(63)32-58-19-17-33(18-20-58)30-59-21-23-60(24-22-59)40-10-14-43-38(27-40)31-61(50(43)66)44-15-16-46(62)57-49(44)65/h1-14,25-27,33,44H,15-24,28-32H2,(H,55,63)(H,56,64)(H,57,62,65)
InChIKeyHTFVZEQGEFPVJC-UHFFFAOYSA-N
MW916.01 g/mol
LogP6.49
Rot. Bonds13

About N-[[3-[[[2-[4-[[4-[2-(2,6-dioxopiperidin-3-yl)-1-oxo-3H-isoindol-5-yl]piperazin-1-yl]methyl]piperidin-1-yl]acetyl]amino]methyl]phenyl]methyl]-5-[4-(trifluoromethyl)phenoxy]naphthalene-2-carboxamide

N-[[3-[[[2-[4-[[4-[2-(2,6-dioxopiperidin-3-yl)-1-oxo-3H-isoindol-5-yl]piperazin-1-yl]methyl]piperidin-1-yl]acetyl]amino]methyl]phenyl]methyl]-5-[4-(trifluoromethyl)phenoxy]naphthalene-2-carboxamide (PubChem CID 177202329) has the molecular formula C51H52F3N7O6 and a molecular weight of 916.01 g/mol. Its IUPAC name is N-[[3-[[[2-[4-[[4-[2-(2,6-dioxopiperidin-3-yl)-1-oxo-3H-isoindol-5-yl]piperazin-1-yl]methyl]piperidin-1-yl]acetyl]amino]methyl]phenyl]methyl]-5-[4-(trifluoromethyl)phenoxy]naphthalene-2-carboxamide.

Molecular Properties

Compound NameN-[[3-[[[2-[4-[[4-[2-(2,6-dioxopiperidin-3-yl)-1-oxo-3H-isoindol-5-yl]piperazin-1-yl]methyl]piperidin-1-yl]acetyl]amino]methyl]phenyl]methyl]-5-[4-(trifluoromethyl)phenoxy]naphthalene-2-carboxamide
PubChem CID177202329
Molecular FormulaC51H52F3N7O6
Molecular Weight916.01 g/mol
Exact Mass915.39
IUPAC NameN-[[3-[[[2-[4-[[4-[2-(2,6-dioxopiperidin-3-yl)-1-oxo-3H-isoindol-5-yl]piperazin-1-yl]methyl]piperidin-1-yl]acetyl]amino]methyl]phenyl]methyl]-5-[4-(trifluoromethyl)phenoxy]naphthalene-2-carboxamide
SMILESO=C(CN1CCC(CN2CCN(c3ccc4c(c3)CN(C3CCC(=O)NC3=O)C4=O)CC2)CC1)NCc1cccc(CNC(=O)c2ccc3c(Oc4ccc(C(F)(F)F)cc4)cccc3c2)c1
InChIInChI=1S/C51H52F3N7O6/c52-51(53,54)39-8-11-41(12-9-39)67-45-6-2-5-36-26-37(7-13-42(36)45)48(64)56-29-35-4-1-3-34(25-35)28-55-47(63)32-58-19-17-33(18-20-58)30-59-21-23-60(24-22-59)40-10-14-43-38(27-40)31-61(50(43)66)44-15-16-46(62)57-49(44)65/h1-14,25-27,33,44H,15-24,28-32H2,(H,55,63)(H,56,64)(H,57,62,65)
InChIKeyHTFVZEQGEFPVJC-UHFFFAOYSA-N
XLogP6.49
TPSA143.63 Ų
H-Bond Donors3
H-Bond Acceptors9
Rotatable Bonds13
Heavy Atoms67
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500916.01
LogP ≤ 56.49
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 109

Computed Properties (RDKit)

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

Analyze N-[[3-[[[2-[4-[[4-[2-(2,6-dioxopiperidin-3-yl)-1-oxo-3H-isoindol-5-yl]piperazin-1-yl]methyl]piperidin-1-yl]acetyl]amino]methyl]phenyl]methyl]-5-[4-(trifluoromethyl)phenoxy]naphthalene-2-carboxamide with MolForge

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Frequently Asked Questions

What is the IUPAC name of N-[[3-[[[2-[4-[[4-[2-(2,6-dioxopiperidin-3-yl)-1-oxo-3H-isoindol-5-yl]piperazin-1-yl]methyl]piperidin-1-yl]acetyl]amino]methyl]phenyl]methyl]-5-[4-(trifluoromethyl)phenoxy]naphthalene-2-carboxamide?
The IUPAC name of N-[[3-[[[2-[4-[[4-[2-(2,6-dioxopiperidin-3-yl)-1-oxo-3H-isoindol-5-yl]piperazin-1-yl]methyl]piperidin-1-yl]acetyl]amino]methyl]phenyl]methyl]-5-[4-(trifluoromethyl)phenoxy]naphthalene-2-carboxamide (CID 177202329) is N-[[3-[[[2-[4-[[4-[2-(2,6-dioxopiperidin-3-yl)-1-oxo-3H-isoindol-5-yl]piperazin-1-yl]methyl]piperidin-1-yl]acetyl]amino]methyl]phenyl]methyl]-5-[4-(trifluoromethyl)phenoxy]naphthalene-2-carboxamide.
What is the SMILES notation for N-[[3-[[[2-[4-[[4-[2-(2,6-dioxopiperidin-3-yl)-1-oxo-3H-isoindol-5-yl]piperazin-1-yl]methyl]piperidin-1-yl]acetyl]amino]methyl]phenyl]methyl]-5-[4-(trifluoromethyl)phenoxy]naphthalene-2-carboxamide?
The canonical SMILES for N-[[3-[[[2-[4-[[4-[2-(2,6-dioxopiperidin-3-yl)-1-oxo-3H-isoindol-5-yl]piperazin-1-yl]methyl]piperidin-1-yl]acetyl]amino]methyl]phenyl]methyl]-5-[4-(trifluoromethyl)phenoxy]naphthalene-2-carboxamide is O=C(CN1CCC(CN2CCN(c3ccc4c(c3)CN(C3CCC(=O)NC3=O)C4=O)CC2)CC1)NCc1cccc(CNC(=O)c2ccc3c(Oc4ccc(C(F)(F)F)cc4)cccc3c2)c1.
What is the InChIKey of N-[[3-[[[2-[4-[[4-[2-(2,6-dioxopiperidin-3-yl)-1-oxo-3H-isoindol-5-yl]piperazin-1-yl]methyl]piperidin-1-yl]acetyl]amino]methyl]phenyl]methyl]-5-[4-(trifluoromethyl)phenoxy]naphthalene-2-carboxamide?
The InChIKey is HTFVZEQGEFPVJC-UHFFFAOYSA-N. The full InChI is InChI=1S/C51H52F3N7O6/c52-51(53,54)39-8-11-41(12-9-39)67-45-6-2-5-36-26-37(7-13-42(36)45)48(64)56-29-35-4-1-3-34(25-35)28-55-47(63)32-58-19-17-33(18-20-58)30-59-21-23-60(24-22-59)40-10-14-43-38(27-40)31-61(50(43)66)44-15-16-46(62)57-49(44)65/h1-14,25-27,33,44H,15-24,28-32H2,(H,55,63)(H,56,64)(H,57,62,65).
What are the key properties of N-[[3-[[[2-[4-[[4-[2-(2,6-dioxopiperidin-3-yl)-1-oxo-3H-isoindol-5-yl]piperazin-1-yl]methyl]piperidin-1-yl]acetyl]amino]methyl]phenyl]methyl]-5-[4-(trifluoromethyl)phenoxy]naphthalene-2-carboxamide?
N-[[3-[[[2-[4-[[4-[2-(2,6-dioxopiperidin-3-yl)-1-oxo-3H-isoindol-5-yl]piperazin-1-yl]methyl]piperidin-1-yl]acetyl]amino]methyl]phenyl]methyl]-5-[4-(trifluoromethyl)phenoxy]naphthalene-2-carboxamide has a molecular weight of 916.01 g/mol, XLogP of 6.49, 13 rotatable bonds, 3 hydrogen bond donors, and 9 hydrogen bond acceptors.
Where does this data come from?
All data for N-[[3-[[[2-[4-[[4-[2-(2,6-dioxopiperidin-3-yl)-1-oxo-3H-isoindol-5-yl]piperazin-1-yl]methyl]piperidin-1-yl]acetyl]amino]methyl]phenyl]methyl]-5-[4-(trifluoromethyl)phenoxy]naphthalene-2-carboxamide is sourced from PubChem (CID 177202329), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).