2-[5-[4-[2-[4-[[3-[4-(2,6-dioxopiperidin-3-yl)phenyl]-3,9-diazaspiro[5.5]undecan-9-yl]methyl]piperidin-1-yl]-2-oxoethyl]phenyl]-2-pyridinyl]-2-phenylacetamide

C47H54N6O4 — CID 178082066

IUPAC2-[5-[4-[2-[4-[[3-[4-(2,6-dioxopiperidin-3-yl)phenyl]-3,9-diazaspiro[5.5]undecan-9-yl]methyl]piperidin-1-yl]-2-oxoethyl]phenyl]-2-pyridinyl]-2-phenylacetamide
SMILESNC(=O)C(c1ccccc1)c1ccc(-c2ccc(CC(=O)N3CCC(CN4CCC5(CC4)CCN(c4ccc(C6CCC(=O)NC6=O)cc4)CC5)CC3)cc2)cn1
InChIInChI=1S/C47H54N6O4/c48-45(56)44(37-4-2-1-3-5-37)41-16-12-38(31-49-41)35-8-6-33(7-9-35)30-43(55)53-24-18-34(19-25-53)32-51-26-20-47(21-27-51)22-28-52(29-23-47)39-13-10-36(11-14-39)40-15-17-42(54)50-46(40)57/h1-14,16,31,34,40,44H,15,17-30,32H2,(H2,48,56)(H,50,54,57)
InChIKeyPQQFVIQYEGVIJD-UHFFFAOYSA-N
MW766.99 g/mol
LogP6.05
Rot. Bonds10

About 2-[5-[4-[2-[4-[[3-[4-(2,6-dioxopiperidin-3-yl)phenyl]-3,9-diazaspiro[5.5]undecan-9-yl]methyl]piperidin-1-yl]-2-oxoethyl]phenyl]-2-pyridinyl]-2-phenylacetamide

2-[5-[4-[2-[4-[[3-[4-(2,6-dioxopiperidin-3-yl)phenyl]-3,9-diazaspiro[5.5]undecan-9-yl]methyl]piperidin-1-yl]-2-oxoethyl]phenyl]-2-pyridinyl]-2-phenylacetamide (PubChem CID 178082066) has the molecular formula C47H54N6O4 and a molecular weight of 766.99 g/mol. Its IUPAC name is 2-[5-[4-[2-[4-[[3-[4-(2,6-dioxopiperidin-3-yl)phenyl]-3,9-diazaspiro[5.5]undecan-9-yl]methyl]piperidin-1-yl]-2-oxoethyl]phenyl]-2-pyridinyl]-2-phenylacetamide.

Molecular Properties

Compound Name2-[5-[4-[2-[4-[[3-[4-(2,6-dioxopiperidin-3-yl)phenyl]-3,9-diazaspiro[5.5]undecan-9-yl]methyl]piperidin-1-yl]-2-oxoethyl]phenyl]-2-pyridinyl]-2-phenylacetamide
PubChem CID178082066
Molecular FormulaC47H54N6O4
Molecular Weight766.99 g/mol
Exact Mass766.42
IUPAC Name2-[5-[4-[2-[4-[[3-[4-(2,6-dioxopiperidin-3-yl)phenyl]-3,9-diazaspiro[5.5]undecan-9-yl]methyl]piperidin-1-yl]-2-oxoethyl]phenyl]-2-pyridinyl]-2-phenylacetamide
SMILESNC(=O)C(c1ccccc1)c1ccc(-c2ccc(CC(=O)N3CCC(CN4CCC5(CC4)CCN(c4ccc(C6CCC(=O)NC6=O)cc4)CC5)CC3)cc2)cn1
InChIInChI=1S/C47H54N6O4/c48-45(56)44(37-4-2-1-3-5-37)41-16-12-38(31-49-41)35-8-6-33(7-9-35)30-43(55)53-24-18-34(19-25-53)32-51-26-20-47(21-27-51)22-28-52(29-23-47)39-13-10-36(11-14-39)40-15-17-42(54)50-46(40)57/h1-14,16,31,34,40,44H,15,17-30,32H2,(H2,48,56)(H,50,54,57)
InChIKeyPQQFVIQYEGVIJD-UHFFFAOYSA-N
XLogP6.05
TPSA128.94 Ų
H-Bond Donors2
H-Bond Acceptors7
Rotatable Bonds10
Heavy Atoms57
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500766.99
LogP ≤ 56.05
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 107

Computed Properties (RDKit)

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

Analyze 2-[5-[4-[2-[4-[[3-[4-(2,6-dioxopiperidin-3-yl)phenyl]-3,9-diazaspiro[5.5]undecan-9-yl]methyl]piperidin-1-yl]-2-oxoethyl]phenyl]-2-pyridinyl]-2-phenylacetamide with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of 2-[5-[4-[2-[4-[[3-[4-(2,6-dioxopiperidin-3-yl)phenyl]-3,9-diazaspiro[5.5]undecan-9-yl]methyl]piperidin-1-yl]-2-oxoethyl]phenyl]-2-pyridinyl]-2-phenylacetamide?
The IUPAC name of 2-[5-[4-[2-[4-[[3-[4-(2,6-dioxopiperidin-3-yl)phenyl]-3,9-diazaspiro[5.5]undecan-9-yl]methyl]piperidin-1-yl]-2-oxoethyl]phenyl]-2-pyridinyl]-2-phenylacetamide (CID 178082066) is 2-[5-[4-[2-[4-[[3-[4-(2,6-dioxopiperidin-3-yl)phenyl]-3,9-diazaspiro[5.5]undecan-9-yl]methyl]piperidin-1-yl]-2-oxoethyl]phenyl]-2-pyridinyl]-2-phenylacetamide.
What is the SMILES notation for 2-[5-[4-[2-[4-[[3-[4-(2,6-dioxopiperidin-3-yl)phenyl]-3,9-diazaspiro[5.5]undecan-9-yl]methyl]piperidin-1-yl]-2-oxoethyl]phenyl]-2-pyridinyl]-2-phenylacetamide?
The canonical SMILES for 2-[5-[4-[2-[4-[[3-[4-(2,6-dioxopiperidin-3-yl)phenyl]-3,9-diazaspiro[5.5]undecan-9-yl]methyl]piperidin-1-yl]-2-oxoethyl]phenyl]-2-pyridinyl]-2-phenylacetamide is NC(=O)C(c1ccccc1)c1ccc(-c2ccc(CC(=O)N3CCC(CN4CCC5(CC4)CCN(c4ccc(C6CCC(=O)NC6=O)cc4)CC5)CC3)cc2)cn1.
What is the InChIKey of 2-[5-[4-[2-[4-[[3-[4-(2,6-dioxopiperidin-3-yl)phenyl]-3,9-diazaspiro[5.5]undecan-9-yl]methyl]piperidin-1-yl]-2-oxoethyl]phenyl]-2-pyridinyl]-2-phenylacetamide?
The InChIKey is PQQFVIQYEGVIJD-UHFFFAOYSA-N. The full InChI is InChI=1S/C47H54N6O4/c48-45(56)44(37-4-2-1-3-5-37)41-16-12-38(31-49-41)35-8-6-33(7-9-35)30-43(55)53-24-18-34(19-25-53)32-51-26-20-47(21-27-51)22-28-52(29-23-47)39-13-10-36(11-14-39)40-15-17-42(54)50-46(40)57/h1-14,16,31,34,40,44H,15,17-30,32H2,(H2,48,56)(H,50,54,57).
What are the key properties of 2-[5-[4-[2-[4-[[3-[4-(2,6-dioxopiperidin-3-yl)phenyl]-3,9-diazaspiro[5.5]undecan-9-yl]methyl]piperidin-1-yl]-2-oxoethyl]phenyl]-2-pyridinyl]-2-phenylacetamide?
2-[5-[4-[2-[4-[[3-[4-(2,6-dioxopiperidin-3-yl)phenyl]-3,9-diazaspiro[5.5]undecan-9-yl]methyl]piperidin-1-yl]-2-oxoethyl]phenyl]-2-pyridinyl]-2-phenylacetamide has a molecular weight of 766.99 g/mol, XLogP of 6.05, 10 rotatable bonds, 2 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[5-[4-[2-[4-[[3-[4-(2,6-dioxopiperidin-3-yl)phenyl]-3,9-diazaspiro[5.5]undecan-9-yl]methyl]piperidin-1-yl]-2-oxoethyl]phenyl]-2-pyridinyl]-2-phenylacetamide is sourced from PubChem (CID 178082066), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).