N-(2,6-dioxopiperidin-3-yl)-N-[[2-methyl-6-[[4-[(4-piperidin-1-ylpiperidin-1-yl)methyl]phenyl]methoxy]phenyl]methyl]formamide

C32H42N4O4 — CID 130312138

IUPACN-(2,6-dioxopiperidin-3-yl)-N-[[2-methyl-6-[[4-[(4-piperidin-1-ylpiperidin-1-yl)methyl]phenyl]methoxy]phenyl]methyl]formamide
SMILESCc1cccc(OCc2ccc(CN3CCC(N4CCCCC4)CC3)cc2)c1CN(C=O)C1CCC(=O)NC1=O
InChIInChI=1S/C32H42N4O4/c1-24-6-5-7-30(28(24)21-36(23-37)29-12-13-31(38)33-32(29)39)40-22-26-10-8-25(9-11-26)20-34-18-14-27(15-19-34)35-16-3-2-4-17-35/h5-11,23,27,29H,2-4,12-22H2,1H3,(H,33,38,39)
InChIKeyPBPJMDNPUHGJMV-UHFFFAOYSA-N
MW546.71 g/mol
LogP3.79
Rot. Bonds10

About N-(2,6-dioxopiperidin-3-yl)-N-[[2-methyl-6-[[4-[(4-piperidin-1-ylpiperidin-1-yl)methyl]phenyl]methoxy]phenyl]methyl]formamide

N-(2,6-dioxopiperidin-3-yl)-N-[[2-methyl-6-[[4-[(4-piperidin-1-ylpiperidin-1-yl)methyl]phenyl]methoxy]phenyl]methyl]formamide (PubChem CID 130312138) has the molecular formula C32H42N4O4 and a molecular weight of 546.71 g/mol. Its IUPAC name is N-(2,6-dioxopiperidin-3-yl)-N-[[2-methyl-6-[[4-[(4-piperidin-1-ylpiperidin-1-yl)methyl]phenyl]methoxy]phenyl]methyl]formamide.

Molecular Properties

Compound NameN-(2,6-dioxopiperidin-3-yl)-N-[[2-methyl-6-[[4-[(4-piperidin-1-ylpiperidin-1-yl)methyl]phenyl]methoxy]phenyl]methyl]formamide
PubChem CID130312138
Molecular FormulaC32H42N4O4
Molecular Weight546.71 g/mol
Exact Mass546.32
IUPAC NameN-(2,6-dioxopiperidin-3-yl)-N-[[2-methyl-6-[[4-[(4-piperidin-1-ylpiperidin-1-yl)methyl]phenyl]methoxy]phenyl]methyl]formamide
SMILESCc1cccc(OCc2ccc(CN3CCC(N4CCCCC4)CC3)cc2)c1CN(C=O)C1CCC(=O)NC1=O
InChIInChI=1S/C32H42N4O4/c1-24-6-5-7-30(28(24)21-36(23-37)29-12-13-31(38)33-32(29)39)40-22-26-10-8-25(9-11-26)20-34-18-14-27(15-19-34)35-16-3-2-4-17-35/h5-11,23,27,29H,2-4,12-22H2,1H3,(H,33,38,39)
InChIKeyPBPJMDNPUHGJMV-UHFFFAOYSA-N
XLogP3.79
TPSA82.19 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds10
Heavy Atoms40
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500546.71
LogP ≤ 53.79
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

Computed Properties (RDKit)

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

Analyze N-(2,6-dioxopiperidin-3-yl)-N-[[2-methyl-6-[[4-[(4-piperidin-1-ylpiperidin-1-yl)methyl]phenyl]methoxy]phenyl]methyl]formamide 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

3-[7-[[4-[(4,4-dimethylpiperidin-1-yl)methyl]phenyl]methoxy]-3-oxo-1H-isoindol-2-yl]piperidine-2,6-dione
CID 53353229
3-[3-oxo-7-[[4-[(4-propan-2-ylpiperidin-1-yl)methyl]phenyl]methoxy]-1H-isoindol-2-yl]piperidine-2,6-dione
CID 53353322
3-[7-[[4-[(4-methylpiperidin-1-yl)methyl]phenyl]methoxy]-3-oxo-1H-isoindol-2-yl]piperidine-2,6-dione
CID 53353412
3-[3-oxo-7-[[4-[(4-propan-2-ylpiperazin-1-yl)methyl]phenyl]methoxy]-1H-isoindol-2-yl]piperidine-2,6-dione
CID 67332604
3-[4-({4-[(4-methylpiperazin-1-yl)methyl]phenyl}methoxy)-1-oxo-2,3-dihydro-1H-isoindol-2-yl]piperidine-2,6-dione
CID 67334120
Tetrahydroisoquinoline-based macrocyclic inhibitor 20
CID 11534974
(2S,4S)-1-[4-(aminomethyl)-3-methoxybenzoyl]-N-methyl-4-[5-(2-phenylethoxy)-3,4-dihydro-1H-isoquinolin-2-yl]pyrrolidine-2-carboxamide
CID 155511048
3-[4-[[4-(Morpholin-4-ylmethyl)phenyl]methoxy]-1,3-dihydroisoindol-2-yl]piperidine-2,6-dione
CID 134240457
N-(1,6-dimethyl-9H-xanthen-9-yl)-5-morpholino-2-oxo-6-(trifluoromethyl)-1,2-dihydropyridine-3-carboxamide
CID 171903827
N-(1,6-dimethyl-9H-xanthen-9-yl)-2-oxo-5-(piperidin-1-yl)-6-(trifluoromethyl)-1,2-dihydropyridine-3-carboxamide
CID 171903829
N-(3,6-dimethyl-9H-xanthen-9-yl)-5-(4-ethylpiperazin-1-yl)-2-oxo-6-(trifluoromethyl)-1,2-dihydropyridine-3-carboxamide
CID 171903867
N-[(2-Ethoxyphenyl)methyl]-2-[1-(piperidine-1-carbonyl)-1,2,3,4-tetrahydroisoquinolin-2-YL]acetamide
CID 50847853

Frequently Asked Questions

What is the IUPAC name of N-(2,6-dioxopiperidin-3-yl)-N-[[2-methyl-6-[[4-[(4-piperidin-1-ylpiperidin-1-yl)methyl]phenyl]methoxy]phenyl]methyl]formamide?
The IUPAC name of N-(2,6-dioxopiperidin-3-yl)-N-[[2-methyl-6-[[4-[(4-piperidin-1-ylpiperidin-1-yl)methyl]phenyl]methoxy]phenyl]methyl]formamide (CID 130312138) is N-(2,6-dioxopiperidin-3-yl)-N-[[2-methyl-6-[[4-[(4-piperidin-1-ylpiperidin-1-yl)methyl]phenyl]methoxy]phenyl]methyl]formamide.
What is the SMILES notation for N-(2,6-dioxopiperidin-3-yl)-N-[[2-methyl-6-[[4-[(4-piperidin-1-ylpiperidin-1-yl)methyl]phenyl]methoxy]phenyl]methyl]formamide?
The canonical SMILES for N-(2,6-dioxopiperidin-3-yl)-N-[[2-methyl-6-[[4-[(4-piperidin-1-ylpiperidin-1-yl)methyl]phenyl]methoxy]phenyl]methyl]formamide is Cc1cccc(OCc2ccc(CN3CCC(N4CCCCC4)CC3)cc2)c1CN(C=O)C1CCC(=O)NC1=O.
What is the InChIKey of N-(2,6-dioxopiperidin-3-yl)-N-[[2-methyl-6-[[4-[(4-piperidin-1-ylpiperidin-1-yl)methyl]phenyl]methoxy]phenyl]methyl]formamide?
The InChIKey is PBPJMDNPUHGJMV-UHFFFAOYSA-N. The full InChI is InChI=1S/C32H42N4O4/c1-24-6-5-7-30(28(24)21-36(23-37)29-12-13-31(38)33-32(29)39)40-22-26-10-8-25(9-11-26)20-34-18-14-27(15-19-34)35-16-3-2-4-17-35/h5-11,23,27,29H,2-4,12-22H2,1H3,(H,33,38,39).
What are the key properties of N-(2,6-dioxopiperidin-3-yl)-N-[[2-methyl-6-[[4-[(4-piperidin-1-ylpiperidin-1-yl)methyl]phenyl]methoxy]phenyl]methyl]formamide?
N-(2,6-dioxopiperidin-3-yl)-N-[[2-methyl-6-[[4-[(4-piperidin-1-ylpiperidin-1-yl)methyl]phenyl]methoxy]phenyl]methyl]formamide has a molecular weight of 546.71 g/mol, XLogP of 3.79, 10 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N-(2,6-dioxopiperidin-3-yl)-N-[[2-methyl-6-[[4-[(4-piperidin-1-ylpiperidin-1-yl)methyl]phenyl]methoxy]phenyl]methyl]formamide is sourced from PubChem (CID 130312138), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).