benzene;3,4-dihydro-2H-chromen-7-ol;N-(2,6-dioxopiperidin-3-yl)-4-methoxy-5-[4-[(7-phenyl-7-azaspiro[3.5]nonan-2-yl)methyl]piperazin-1-yl]pyridine-2-carboxamide

C46H56N6O6 — CID 170728406

IUPACbenzene;3,4-dihydro-2H-chromen-7-ol;N-(2,6-dioxopiperidin-3-yl)-4-methoxy-5-[4-[(7-phenyl-7-azaspiro[3.5]nonan-2-yl)methyl]piperazin-1-yl]pyridine-2-carboxamide
SMILESCOc1cc(C(=O)NC2CCC(=O)NC2=O)ncc1N1CCN(CC2CC3(CCN(c4ccccc4)CC3)C2)CC1.Oc1ccc2c(c1)OCCC2.c1ccccc1
InChIInChI=1S/C31H40N6O4.C9H10O2.C6H6/c1-41-27-17-25(30(40)33-24-7-8-28(38)34-29(24)39)32-20-26(27)37-15-13-35(14-16-37)21-22-18-31(19-22)9-11-36(12-10-31)23-5-3-2-4-6-23;10-8-4-3-7-2-1-5-11-9(7)6-8;1-2-4-6-5-3-1/h2-6,17,20,22,24H,7-16,18-19,21H2,1H3,(H,33,40)(H,34,38,39);3-4,6,10H,1-2,5H2;1-6H
InChIKeyUHZXADOAPPZHRE-UHFFFAOYSA-N
MW788.99 g/mol
LogP5.85
Rot. Bonds7

About benzene;3,4-dihydro-2H-chromen-7-ol;N-(2,6-dioxopiperidin-3-yl)-4-methoxy-5-[4-[(7-phenyl-7-azaspiro[3.5]nonan-2-yl)methyl]piperazin-1-yl]pyridine-2-carboxamide

benzene;3,4-dihydro-2H-chromen-7-ol;N-(2,6-dioxopiperidin-3-yl)-4-methoxy-5-[4-[(7-phenyl-7-azaspiro[3.5]nonan-2-yl)methyl]piperazin-1-yl]pyridine-2-carboxamide (PubChem CID 170728406) has the molecular formula C46H56N6O6 and a molecular weight of 788.99 g/mol. Its IUPAC name is benzene;3,4-dihydro-2H-chromen-7-ol;N-(2,6-dioxopiperidin-3-yl)-4-methoxy-5-[4-[(7-phenyl-7-azaspiro[3.5]nonan-2-yl)methyl]piperazin-1-yl]pyridine-2-carboxamide.

Molecular Properties

Compound Namebenzene;3,4-dihydro-2H-chromen-7-ol;N-(2,6-dioxopiperidin-3-yl)-4-methoxy-5-[4-[(7-phenyl-7-azaspiro[3.5]nonan-2-yl)methyl]piperazin-1-yl]pyridine-2-carboxamide
PubChem CID170728406
Molecular FormulaC46H56N6O6
Molecular Weight788.99 g/mol
Exact Mass788.43
IUPAC Namebenzene;3,4-dihydro-2H-chromen-7-ol;N-(2,6-dioxopiperidin-3-yl)-4-methoxy-5-[4-[(7-phenyl-7-azaspiro[3.5]nonan-2-yl)methyl]piperazin-1-yl]pyridine-2-carboxamide
SMILESCOc1cc(C(=O)NC2CCC(=O)NC2=O)ncc1N1CCN(CC2CC3(CCN(c4ccccc4)CC3)C2)CC1.Oc1ccc2c(c1)OCCC2.c1ccccc1
InChIInChI=1S/C31H40N6O4.C9H10O2.C6H6/c1-41-27-17-25(30(40)33-24-7-8-28(38)34-29(24)39)32-20-26(27)37-15-13-35(14-16-37)21-22-18-31(19-22)9-11-36(12-10-31)23-5-3-2-4-6-23;10-8-4-3-7-2-1-5-11-9(7)6-8;1-2-4-6-5-3-1/h2-6,17,20,22,24H,7-16,18-19,21H2,1H3,(H,33,40)(H,34,38,39);3-4,6,10H,1-2,5H2;1-6H
InChIKeyUHZXADOAPPZHRE-UHFFFAOYSA-N
XLogP5.85
TPSA136.57 Ų
H-Bond Donors3
H-Bond Acceptors10
Rotatable Bonds7
Heavy Atoms58
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500788.99
LogP ≤ 55.85
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 1010

Computed Properties (RDKit)

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

Analyze benzene;3,4-dihydro-2H-chromen-7-ol;N-(2,6-dioxopiperidin-3-yl)-4-methoxy-5-[4-[(7-phenyl-7-azaspiro[3.5]nonan-2-yl)methyl]piperazin-1-yl]pyridine-2-carboxamide with MolForge

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Related Compounds

benzene;3,4-dihydro-2H-chromen-7-ol;N-(2,6-dioxopiperidin-3-yl)-5-[4-[(4-phenylpiperazin-1-yl)methyl]piperidin-1-yl]pyridine-2-carboxamide
CID 170728556
N-(2,6-dioxopiperidin-3-yl)-6-methoxy-5-[4-[(7-phenyl-7-azaspiro[3.5]nonan-2-yl)methyl]piperazin-1-yl]pyridine-2-carboxamide
CID 170728572
N-(2,6-dioxopiperidin-3-yl)-5-[4-[[1-(2-fluorophenyl)piperidin-4-yl]methyl]piperazin-1-yl]pyridine-2-carboxamide
CID 170728597
(3S)-3-[4-[1-[[7-[4-[(1S,2S)-6-hydroxy-2-phenyl-1,2,3,4-tetrahydronaphthalen-1-yl]-3-methoxyphenyl]-7-azaspiro[3.5]nonan-2-yl]methyl]piperidin-4-yl]-2-methylanilino]piperidine-2,6-dione
CID 170729656
N-[(3S)-2,6-dioxopiperidin-3-yl]-12-[[(3R)-8-[4-[(3S,4R)-7-hydroxy-3-phenyl-3,4-dihydro-2H-chromen-4-yl]phenyl]-1-oxa-8-azaspiro[4.5]decan-3-yl]methyl]-8-oxa-1,6,12-triazatricyclo[8.4.0.02,7]tetradeca-2(7),3,5-triene-5-carboxamide
CID 170728567
N-(2,6-dioxopiperidin-3-yl)-5-[4-[[4-[5-methoxy-2-(1-methylpyrazol-4-yl)-4-nitrophenyl]piperazin-1-yl]methyl]piperidin-1-yl]pyridine-2-carboxamide
CID 166095575
5-[4-[[4-[4-[[5-chloro-4-(2-dimethylphosphoryl-4-phenylanilino)pyrimidin-2-yl]amino]-5-methoxy-2-(1-methylpyrazol-4-yl)phenyl]piperazin-1-yl]methyl]piperidin-1-yl]-N-(2,6-dioxopiperidin-3-yl)pyridine-2-carboxamide
CID 166095364
benzene;3-[14-oxo-5-[(7-phenyl-7-azaspiro[3.5]nonan-2-yl)methyl]-9-oxa-2,5,13-triazatetracyclo[8.7.0.02,7.011,15]heptadeca-1(10),11(15),16-trien-13-yl]piperidine-2,6-dione;5,6,7,8-tetrahydronaphthalen-2-ol
CID 170728855
(3R)-3-[4-[1-[[1-[4-[(3R,4S)-7-hydroxy-3-phenyl-3,4-dihydro-2H-chromen-4-yl]-3-methoxyphenyl]piperidin-4-yl]methyl]piperidin-4-yl]anilino]piperidine-2,6-dione
CID 170728616
3-[4-[(1-aminopiperidin-4-yl)methyl]piperazin-1-yl]-N-(2,6-dioxopiperidin-3-yl)benzamide
CID 167463620
3-aminopiperidine-2,6-dione;tert-butyl 6-[4-[[4-[6-[(2,6-dioxopiperidin-3-yl)carbamoyl]-3-pyridinyl]piperazin-1-yl]methyl]piperidin-1-yl]pyridine-3-carboxylate;methane;5-[4-[[1-[5-[(2-methylpropan-2-yl)oxycarbonyl]-2-pyridinyl]piperidin-4-yl]methyl]piperazin-1-yl]pyridine-2-carboxylic acid
CID 162041296
N-[(3S)-2,6-dioxopiperidin-3-yl]-5-[4-[[(3S)-3-fluoropiperidin-1-yl]methyl]piperidin-1-yl]pyridine-2-carboxamide
CID 167190155

Frequently Asked Questions

What is the IUPAC name of benzene;3,4-dihydro-2H-chromen-7-ol;N-(2,6-dioxopiperidin-3-yl)-4-methoxy-5-[4-[(7-phenyl-7-azaspiro[3.5]nonan-2-yl)methyl]piperazin-1-yl]pyridine-2-carboxamide?
The IUPAC name of benzene;3,4-dihydro-2H-chromen-7-ol;N-(2,6-dioxopiperidin-3-yl)-4-methoxy-5-[4-[(7-phenyl-7-azaspiro[3.5]nonan-2-yl)methyl]piperazin-1-yl]pyridine-2-carboxamide (CID 170728406) is benzene;3,4-dihydro-2H-chromen-7-ol;N-(2,6-dioxopiperidin-3-yl)-4-methoxy-5-[4-[(7-phenyl-7-azaspiro[3.5]nonan-2-yl)methyl]piperazin-1-yl]pyridine-2-carboxamide.
What is the SMILES notation for benzene;3,4-dihydro-2H-chromen-7-ol;N-(2,6-dioxopiperidin-3-yl)-4-methoxy-5-[4-[(7-phenyl-7-azaspiro[3.5]nonan-2-yl)methyl]piperazin-1-yl]pyridine-2-carboxamide?
The canonical SMILES for benzene;3,4-dihydro-2H-chromen-7-ol;N-(2,6-dioxopiperidin-3-yl)-4-methoxy-5-[4-[(7-phenyl-7-azaspiro[3.5]nonan-2-yl)methyl]piperazin-1-yl]pyridine-2-carboxamide is COc1cc(C(=O)NC2CCC(=O)NC2=O)ncc1N1CCN(CC2CC3(CCN(c4ccccc4)CC3)C2)CC1.Oc1ccc2c(c1)OCCC2.c1ccccc1.
What is the InChIKey of benzene;3,4-dihydro-2H-chromen-7-ol;N-(2,6-dioxopiperidin-3-yl)-4-methoxy-5-[4-[(7-phenyl-7-azaspiro[3.5]nonan-2-yl)methyl]piperazin-1-yl]pyridine-2-carboxamide?
The InChIKey is UHZXADOAPPZHRE-UHFFFAOYSA-N. The full InChI is InChI=1S/C31H40N6O4.C9H10O2.C6H6/c1-41-27-17-25(30(40)33-24-7-8-28(38)34-29(24)39)32-20-26(27)37-15-13-35(14-16-37)21-22-18-31(19-22)9-11-36(12-10-31)23-5-3-2-4-6-23;10-8-4-3-7-2-1-5-11-9(7)6-8;1-2-4-6-5-3-1/h2-6,17,20,22,24H,7-16,18-19,21H2,1H3,(H,33,40)(H,34,38,39);3-4,6,10H,1-2,5H2;1-6H.
What are the key properties of benzene;3,4-dihydro-2H-chromen-7-ol;N-(2,6-dioxopiperidin-3-yl)-4-methoxy-5-[4-[(7-phenyl-7-azaspiro[3.5]nonan-2-yl)methyl]piperazin-1-yl]pyridine-2-carboxamide?
benzene;3,4-dihydro-2H-chromen-7-ol;N-(2,6-dioxopiperidin-3-yl)-4-methoxy-5-[4-[(7-phenyl-7-azaspiro[3.5]nonan-2-yl)methyl]piperazin-1-yl]pyridine-2-carboxamide has a molecular weight of 788.99 g/mol, XLogP of 5.85, 7 rotatable bonds, 3 hydrogen bond donors, and 10 hydrogen bond acceptors.
Where does this data come from?
All data for benzene;3,4-dihydro-2H-chromen-7-ol;N-(2,6-dioxopiperidin-3-yl)-4-methoxy-5-[4-[(7-phenyl-7-azaspiro[3.5]nonan-2-yl)methyl]piperazin-1-yl]pyridine-2-carboxamide is sourced from PubChem (CID 170728406), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).