3-[6-[4-[[2-[1-[(1E,3Z)-1,4-diamino-4-(2-hydroxyphenyl)buta-1,3-dien-2-yl]-4-phenylpiperidine-4-carbonyl]-2,6-diazaspiro[3.3]heptan-6-yl]methyl]-4-fluoropiperidin-1-yl]-3-pyridinyl]piperidine-2,6-dione

C43H51FN8O4 — CID 172630574

IUPAC3-[6-[4-[[2-[1-[(1E,3Z)-1,4-diamino-4-(2-hydroxyphenyl)buta-1,3-dien-2-yl]-4-phenylpiperidine-4-carbonyl]-2,6-diazaspiro[3.3]heptan-6-yl]methyl]-4-fluoropiperidin-1-yl]-3-pyridinyl]piperidine-2,6-dione
SMILESN/C=C(\C=C(/N)c1ccccc1O)N1CCC(C(=O)N2CC3(CN(CC4(F)CCN(c5ccc(C6CCC(=O)NC6=O)cn5)CC4)C3)C2)(c2ccccc2)CC1
InChIInChI=1S/C43H51FN8O4/c44-42(14-18-51(19-15-42)37-12-10-30(24-47-37)33-11-13-38(54)48-39(33)55)29-49-25-41(26-49)27-52(28-41)40(56)43(31-6-2-1-3-7-31)16-20-50(21-17-43)32(23-45)22-35(46)34-8-4-5-9-36(34)53/h1-10,12,22-24,33,53H,11,13-21,25-29,45-46H2,(H,48,54,55)/b32-23+,35-22-
InChIKeyKCCICOQNKCZJJN-SRUHPTADSA-N
MW762.93 g/mol
LogP3.59
Rot. Bonds9

About 3-[6-[4-[[2-[1-[(1E,3Z)-1,4-diamino-4-(2-hydroxyphenyl)buta-1,3-dien-2-yl]-4-phenylpiperidine-4-carbonyl]-2,6-diazaspiro[3.3]heptan-6-yl]methyl]-4-fluoropiperidin-1-yl]-3-pyridinyl]piperidine-2,6-dione

3-[6-[4-[[2-[1-[(1E,3Z)-1,4-diamino-4-(2-hydroxyphenyl)buta-1,3-dien-2-yl]-4-phenylpiperidine-4-carbonyl]-2,6-diazaspiro[3.3]heptan-6-yl]methyl]-4-fluoropiperidin-1-yl]-3-pyridinyl]piperidine-2,6-dione (PubChem CID 172630574) has the molecular formula C43H51FN8O4 and a molecular weight of 762.93 g/mol. Its IUPAC name is 3-[6-[4-[[2-[1-[(1E,3Z)-1,4-diamino-4-(2-hydroxyphenyl)buta-1,3-dien-2-yl]-4-phenylpiperidine-4-carbonyl]-2,6-diazaspiro[3.3]heptan-6-yl]methyl]-4-fluoropiperidin-1-yl]-3-pyridinyl]piperidine-2,6-dione.

Molecular Properties

Compound Name3-[6-[4-[[2-[1-[(1E,3Z)-1,4-diamino-4-(2-hydroxyphenyl)buta-1,3-dien-2-yl]-4-phenylpiperidine-4-carbonyl]-2,6-diazaspiro[3.3]heptan-6-yl]methyl]-4-fluoropiperidin-1-yl]-3-pyridinyl]piperidine-2,6-dione
PubChem CID172630574
Molecular FormulaC43H51FN8O4
Molecular Weight762.93 g/mol
Exact Mass762.40
IUPAC Name3-[6-[4-[[2-[1-[(1E,3Z)-1,4-diamino-4-(2-hydroxyphenyl)buta-1,3-dien-2-yl]-4-phenylpiperidine-4-carbonyl]-2,6-diazaspiro[3.3]heptan-6-yl]methyl]-4-fluoropiperidin-1-yl]-3-pyridinyl]piperidine-2,6-dione
SMILESN/C=C(\C=C(/N)c1ccccc1O)N1CCC(C(=O)N2CC3(CN(CC4(F)CCN(c5ccc(C6CCC(=O)NC6=O)cn5)CC4)C3)C2)(c2ccccc2)CC1
InChIInChI=1S/C43H51FN8O4/c44-42(14-18-51(19-15-42)37-12-10-30(24-47-37)33-11-13-38(54)48-39(33)55)29-49-25-41(26-49)27-52(28-41)40(56)43(31-6-2-1-3-7-31)16-20-50(21-17-43)32(23-45)22-35(46)34-8-4-5-9-36(34)53/h1-10,12,22-24,33,53H,11,13-21,25-29,45-46H2,(H,48,54,55)/b32-23+,35-22-
InChIKeyKCCICOQNKCZJJN-SRUHPTADSA-N
XLogP3.59
TPSA161.36 Ų
H-Bond Donors4
H-Bond Acceptors10
Rotatable Bonds9
Heavy Atoms56
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500762.93
LogP ≤ 53.59
H-Bond Donors ≤ 54
H-Bond Acceptors ≤ 1010

Computed Properties (RDKit)

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

Analyze 3-[6-[4-[[2-[1-[(1E,3Z)-1,4-diamino-4-(2-hydroxyphenyl)buta-1,3-dien-2-yl]-4-phenylpiperidine-4-carbonyl]-2,6-diazaspiro[3.3]heptan-6-yl]methyl]-4-fluoropiperidin-1-yl]-3-pyridinyl]piperidine-2,6-dione with MolForge

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

Launch Full Analysis

Related Compounds

(3R)-3-[6-[4-fluoro-4-[[2-[1-[6-(2-hydroxyphenyl)pyridazin-4-yl]-4-phenylpiperidine-4-carbonyl]-2,6-diazaspiro[3.3]heptan-6-yl]methyl]piperidin-1-yl]-3-pyridinyl]piperidine-2,6-dione
CID 172630151
3-[4-[4-[[2-[4-(3-chlorophenyl)-1-[(1E,3Z)-1,4-diamino-4-(2-hydroxyphenyl)buta-1,3-dien-2-yl]piperidine-4-carbonyl]-2,6-diazaspiro[3.3]heptan-6-yl]methyl]piperidin-1-yl]phenyl]piperidine-2,6-dione
CID 172630255
1-[5-(2,6-dioxopiperidin-3-yl)-2-pyridinyl]-4-methylpiperidine-4-carboxylic acid
CID 168882542
3-[6-(2-oxo-7-azaspiro[3.5]nonan-7-yl)-3-pyridinyl]piperidine-2,6-dione
CID 167474963
1-[1-[5-(2,6-dioxopiperidin-3-yl)-2-pyridinyl]piperidine-4-carbonyl]-4-methylpiperidine-4-carboxylic acid
CID 168882533
(3R)-3-[4-[4-[[2-[1-[6-(2-hydroxyphenyl)pyridazin-4-yl]-4-(3-methylphenyl)piperidine-4-carbonyl]-2,6-diazaspiro[3.3]heptan-6-yl]methyl]piperidin-1-yl]phenyl]piperidine-2,6-dione
CID 172630688
[1-[(1E,3Z)-1,4-diamino-4-(2-hydroxyphenyl)buta-1,3-dien-2-yl]-4-(2-methylpyrazol-3-yl)piperidin-4-yl]-(2,6-diazaspiro[3.3]heptan-2-yl)methanone
CID 172630721
tert-butyl 1-[5-[(3R)-2,6-dioxopiperidin-3-yl]-2-pyridinyl]-4-methylpiperidine-4-carboxylate
CID 172569961
3-[6-[4-(2-hydroxyethyl)piperidin-1-yl]-3-pyridinyl]piperidine-2,6-dione
CID 166112962
tert-butyl 4-[5-(2,6-dioxopiperidin-3-yl)-2-pyridinyl]piperazine-1-carboxylate
CID 166113298
tert-butyl 1-[2-[1-[5-[(3R)-2,6-dioxopiperidin-3-yl]-2-pyridinyl]piperidin-4-yl]acetyl]-4-methylpiperidine-4-carboxylate
CID 172570460
3-[6-(2,7-diazaspiro[3.4]octan-2-yl)-3-pyridinyl]piperidine-2,6-dione
CID 166113430

Frequently Asked Questions

What is the IUPAC name of 3-[6-[4-[[2-[1-[(1E,3Z)-1,4-diamino-4-(2-hydroxyphenyl)buta-1,3-dien-2-yl]-4-phenylpiperidine-4-carbonyl]-2,6-diazaspiro[3.3]heptan-6-yl]methyl]-4-fluoropiperidin-1-yl]-3-pyridinyl]piperidine-2,6-dione?
The IUPAC name of 3-[6-[4-[[2-[1-[(1E,3Z)-1,4-diamino-4-(2-hydroxyphenyl)buta-1,3-dien-2-yl]-4-phenylpiperidine-4-carbonyl]-2,6-diazaspiro[3.3]heptan-6-yl]methyl]-4-fluoropiperidin-1-yl]-3-pyridinyl]piperidine-2,6-dione (CID 172630574) is 3-[6-[4-[[2-[1-[(1E,3Z)-1,4-diamino-4-(2-hydroxyphenyl)buta-1,3-dien-2-yl]-4-phenylpiperidine-4-carbonyl]-2,6-diazaspiro[3.3]heptan-6-yl]methyl]-4-fluoropiperidin-1-yl]-3-pyridinyl]piperidine-2,6-dione.
What is the SMILES notation for 3-[6-[4-[[2-[1-[(1E,3Z)-1,4-diamino-4-(2-hydroxyphenyl)buta-1,3-dien-2-yl]-4-phenylpiperidine-4-carbonyl]-2,6-diazaspiro[3.3]heptan-6-yl]methyl]-4-fluoropiperidin-1-yl]-3-pyridinyl]piperidine-2,6-dione?
The canonical SMILES for 3-[6-[4-[[2-[1-[(1E,3Z)-1,4-diamino-4-(2-hydroxyphenyl)buta-1,3-dien-2-yl]-4-phenylpiperidine-4-carbonyl]-2,6-diazaspiro[3.3]heptan-6-yl]methyl]-4-fluoropiperidin-1-yl]-3-pyridinyl]piperidine-2,6-dione is N/C=C(\C=C(/N)c1ccccc1O)N1CCC(C(=O)N2CC3(CN(CC4(F)CCN(c5ccc(C6CCC(=O)NC6=O)cn5)CC4)C3)C2)(c2ccccc2)CC1.
What is the InChIKey of 3-[6-[4-[[2-[1-[(1E,3Z)-1,4-diamino-4-(2-hydroxyphenyl)buta-1,3-dien-2-yl]-4-phenylpiperidine-4-carbonyl]-2,6-diazaspiro[3.3]heptan-6-yl]methyl]-4-fluoropiperidin-1-yl]-3-pyridinyl]piperidine-2,6-dione?
The InChIKey is KCCICOQNKCZJJN-SRUHPTADSA-N. The full InChI is InChI=1S/C43H51FN8O4/c44-42(14-18-51(19-15-42)37-12-10-30(24-47-37)33-11-13-38(54)48-39(33)55)29-49-25-41(26-49)27-52(28-41)40(56)43(31-6-2-1-3-7-31)16-20-50(21-17-43)32(23-45)22-35(46)34-8-4-5-9-36(34)53/h1-10,12,22-24,33,53H,11,13-21,25-29,45-46H2,(H,48,54,55)/b32-23+,35-22-.
What are the key properties of 3-[6-[4-[[2-[1-[(1E,3Z)-1,4-diamino-4-(2-hydroxyphenyl)buta-1,3-dien-2-yl]-4-phenylpiperidine-4-carbonyl]-2,6-diazaspiro[3.3]heptan-6-yl]methyl]-4-fluoropiperidin-1-yl]-3-pyridinyl]piperidine-2,6-dione?
3-[6-[4-[[2-[1-[(1E,3Z)-1,4-diamino-4-(2-hydroxyphenyl)buta-1,3-dien-2-yl]-4-phenylpiperidine-4-carbonyl]-2,6-diazaspiro[3.3]heptan-6-yl]methyl]-4-fluoropiperidin-1-yl]-3-pyridinyl]piperidine-2,6-dione has a molecular weight of 762.93 g/mol, XLogP of 3.59, 9 rotatable bonds, 4 hydrogen bond donors, and 10 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[6-[4-[[2-[1-[(1E,3Z)-1,4-diamino-4-(2-hydroxyphenyl)buta-1,3-dien-2-yl]-4-phenylpiperidine-4-carbonyl]-2,6-diazaspiro[3.3]heptan-6-yl]methyl]-4-fluoropiperidin-1-yl]-3-pyridinyl]piperidine-2,6-dione is sourced from PubChem (CID 172630574), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).