1-[[4-(1-benzofuran-2-yl)cinnolin-6-yl]methyl]piperidin-4-amine;[4-(1-benzofuran-2-yl)isoquinolin-6-yl]methanol;4-(1-benzofuran-2-yl)-6-[(4-methylpiperidin-1-yl)methyl]cinnoline;4-methylpiperidine

C69H71N9O4 — CID 158878123

IUPAC1-[[4-(1-benzofuran-2-yl)cinnolin-6-yl]methyl]piperidin-4-amine;[4-(1-benzofuran-2-yl)isoquinolin-6-yl]methanol;4-(1-benzofuran-2-yl)-6-[(4-methylpiperidin-1-yl)methyl]cinnoline;4-methylpiperidine
SMILESCC1CCN(Cc2ccc3nncc(-c4cc5ccccc5o4)c3c2)CC1.CC1CCNCC1.NC1CCN(Cc2ccc3nncc(-c4cc5ccccc5o4)c3c2)CC1.OCc1ccc2cncc(-c3cc4ccccc4o3)c2c1
InChIInChI=1S/C23H23N3O.C22H22N4O.C18H13NO2.C6H13N/c1-16-8-10-26(11-9-16)15-17-6-7-21-19(12-17)20(14-24-25-21)23-13-18-4-2-3-5-22(18)27-23;23-17-7-9-26(10-8-17)14-15-5-6-20-18(11-15)19(13-24-25-20)22-12-16-3-1-2-4-21(16)27-22;20-11-12-5-6-14-9-19-10-16(15(14)7-12)18-8-13-3-1-2-4-17(13)21-18;1-6-2-4-7-5-3-6/h2-7,12-14,16H,8-11,15H2,1H3;1-6,11-13,17H,7-10,14,23H2;1-10,20H,11H2;6-7H,2-5H2,1H3
InChIKeyJCRRMZBZELWCJE-UHFFFAOYSA-N
MW1090.39 g/mol
LogP14.39
Rot. Bonds8

About 1-[[4-(1-benzofuran-2-yl)cinnolin-6-yl]methyl]piperidin-4-amine;[4-(1-benzofuran-2-yl)isoquinolin-6-yl]methanol;4-(1-benzofuran-2-yl)-6-[(4-methylpiperidin-1-yl)methyl]cinnoline;4-methylpiperidine

1-[[4-(1-benzofuran-2-yl)cinnolin-6-yl]methyl]piperidin-4-amine;[4-(1-benzofuran-2-yl)isoquinolin-6-yl]methanol;4-(1-benzofuran-2-yl)-6-[(4-methylpiperidin-1-yl)methyl]cinnoline;4-methylpiperidine (PubChem CID 158878123) has the molecular formula C69H71N9O4 and a molecular weight of 1090.39 g/mol. Its IUPAC name is 1-[[4-(1-benzofuran-2-yl)cinnolin-6-yl]methyl]piperidin-4-amine;[4-(1-benzofuran-2-yl)isoquinolin-6-yl]methanol;4-(1-benzofuran-2-yl)-6-[(4-methylpiperidin-1-yl)methyl]cinnoline;4-methylpiperidine.

Molecular Properties

Compound Name1-[[4-(1-benzofuran-2-yl)cinnolin-6-yl]methyl]piperidin-4-amine;[4-(1-benzofuran-2-yl)isoquinolin-6-yl]methanol;4-(1-benzofuran-2-yl)-6-[(4-methylpiperidin-1-yl)methyl]cinnoline;4-methylpiperidine
PubChem CID158878123
Molecular FormulaC69H71N9O4
Molecular Weight1090.39 g/mol
Exact Mass1089.56
IUPAC Name1-[[4-(1-benzofuran-2-yl)cinnolin-6-yl]methyl]piperidin-4-amine;[4-(1-benzofuran-2-yl)isoquinolin-6-yl]methanol;4-(1-benzofuran-2-yl)-6-[(4-methylpiperidin-1-yl)methyl]cinnoline;4-methylpiperidine
SMILESCC1CCN(Cc2ccc3nncc(-c4cc5ccccc5o4)c3c2)CC1.CC1CCNCC1.NC1CCN(Cc2ccc3nncc(-c4cc5ccccc5o4)c3c2)CC1.OCc1ccc2cncc(-c3cc4ccccc4o3)c2c1
InChIInChI=1S/C23H23N3O.C22H22N4O.C18H13NO2.C6H13N/c1-16-8-10-26(11-9-16)15-17-6-7-21-19(12-17)20(14-24-25-21)23-13-18-4-2-3-5-22(18)27-23;23-17-7-9-26(10-8-17)14-15-5-6-20-18(11-15)19(13-24-25-20)22-12-16-3-1-2-4-21(16)27-22;20-11-12-5-6-14-9-19-10-16(15(14)7-12)18-8-13-3-1-2-4-17(13)21-18;1-6-2-4-7-5-3-6/h2-7,12-14,16H,8-11,15H2,1H3;1-6,11-13,17H,7-10,14,23H2;1-10,20H,11H2;6-7H,2-5H2,1H3
InChIKeyJCRRMZBZELWCJE-UHFFFAOYSA-N
XLogP14.39
TPSA168.63 Ų
H-Bond Donors3
H-Bond Acceptors13
Rotatable Bonds8
Heavy Atoms82
Complexity—

Lipinski Rule of Five

3 violations

RuleValue
MW ≤ 5001090.39
LogP ≤ 514.39
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 1013

Analyze 1-[[4-(1-benzofuran-2-yl)cinnolin-6-yl]methyl]piperidin-4-amine;[4-(1-benzofuran-2-yl)isoquinolin-6-yl]methanol;4-(1-benzofuran-2-yl)-6-[(4-methylpiperidin-1-yl)methyl]cinnoline;4-methylpiperidine with MolForge

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Related Compounds

22'-Methyl-12-[[2-[1-methyl-3-(trifluoromethyl)pyrazol-5-yl]pyridin-1-ium-1-yl]methyl]spiro[24-oxa-11-azoniahexacyclo[12.11.0.02,11.05,10.017,25.018,23]pentacosa-1(14),2(11),3,5,7,9,15,17(25),18,20,22-undecaene-13,14'-3-oxa-15-azoniahexacyclo[11.11.0.02,10.04,9.015,24.016,21]tetracosa-1(13),2(10),4,6,8,11,15(24),16,18,20,22-undecaene]
CID 123794045
N-cyclohexyl-3-pyridin-4-yl-1H-indazole-5-carboxamide;2-[5,5-difluoro-1-[(2-fluoro-6-methoxyphenyl)methyl]piperidin-3-yl]-1-(3-pyridin-4-yl-1H-isoindol-5-yl)ethanone;2-[1-[(2,6-difluorophenyl)methyl]-5,5-difluoropiperidin-3-yl]-1-(3-pyridin-4-yl-1H-isoindol-5-yl)ethanone;2-[(3S)-1-[2-hydroxy-2-(2-methylphenyl)ethyl]piperidin-3-yl]-1-[3-(2-methyl-4-pyridinyl)-1H-isoindol-5-yl]ethanone
CID 157372966
1-[3-(2,3-dihydro-1-benzofuran-5-yl)-1H-indazol-5-yl]-2-[1-[(2-fluoro-6-methoxyphenyl)methyl]piperidin-3-yl]ethanone;1-[3-(2,3-dihydro-1-benzofuran-5-yl)-1H-isoindol-5-yl]-2-[(3S)-1-[(1-methylindol-3-yl)methyl]piperidin-3-yl]ethanone;2-[1-[(2-fluorophenyl)methyl]-5-methylpiperidin-3-yl]-1-(3-pyridin-4-yl-1H-isoindol-5-yl)ethanone;2-[(3S)-1-[(2-fluorophenyl)methyl]piperidin-3-yl]-1-[3-[2-(trifluoromethyl)-4-pyridinyl]-1H-isoindol-5-yl]ethanone;2-[(3S)-1-[(2-hydroxyphenyl)methyl]piperidin-3-yl]-1-[3-(2-methyl-4-pyridinyl)-1H-isoindol-5-yl]ethanone
CID 158414477
1-[3-(2,3-dihydro-1-benzofuran-5-yl)-1H-indazol-5-yl]-2-[1-[(2-fluoro-6-methoxyphenyl)methyl]piperidin-3-yl]ethanone;1-[3-(2,3-dihydro-1-benzofuran-5-yl)-1H-isoindol-5-yl]-2-[(3S)-1-[(1-methylindol-3-yl)methyl]piperidin-3-yl]ethanone;2-[1-[(2-fluorophenyl)methyl]-5-methylpiperidin-3-yl]-1-(3-pyridin-4-yl-1H-isoindol-5-yl)ethanone;2-[(3S)-1-[(2-fluorophenyl)methyl]piperidin-3-yl]-1-[3-(2-methyl-4-pyridinyl)-1H-isoindol-5-yl]ethanone;2-[(3S)-1-[(2-fluorophenyl)methyl]piperidin-3-yl]-1-[3-[2-(trifluoromethyl)-4-pyridinyl]-1H-isoindol-5-yl]ethanone;2-[(3S)-1-[(2-hydroxyphenyl)methyl]piperidin-3-yl]-1-[3-(2-methyl-4-pyridinyl)-1H-isoindol-5-yl]ethanone
CID 159836293
1-[3-[2-[6-(Aminomethyl)-3-pyridinyl]ethynyl]-4-methylphenyl]-2-[4-(piperazin-1-ylmethyl)-3-(trifluoromethyl)phenyl]ethanone;1-[3-(2-cinnolin-4-ylethynyl)-4-methylphenyl]-2-[4-[[4-(2-hydroxyethyl)piperazin-1-yl]methyl]-3-(trifluoromethyl)phenyl]ethanone;2-[4-(1-methylpiperidin-4-yl)oxy-3-(trifluoromethyl)phenyl]-1-[4-methyl-3-[2-(6-pyrrolidin-2-yl-3-pyridinyl)ethynyl]phenyl]ethanone
CID 161919905
2,6-Bis(1,2-dihydropyridin-2-yl)-3,7-dipyridin-2-yl-9-[8-(2,3,6,7-tetrapyridin-2-ylcarbazol-9-yl)dibenzofuran-2-yl]carbazole
CID 117900860
4-(1-benzofuran-2-yl)cinnoline-6-carboxylic acid;4-(1-benzofuran-2-yl)-N-pyridin-4-ylcinnoline-6-carboxamide
CID 157068390
10-Acetyl-9-(furan-2-yl)-3-methyl-6-propan-2-yl-6,7-dihydrobenzo[a]quinolizin-2-one;10-acetyl-9-(4-hydroxypiperidin-1-yl)-3-methyl-6-propan-2-yl-6,7-dihydrobenzo[a]quinolizin-2-one;methyl 9-(furan-2-yl)-3-methyl-2-oxo-6-propan-2-yl-6,7-dihydrobenzo[a]quinolizine-10-carboxylate;methyl 9-(4-methoxyphenyl)-3-methyl-2-oxo-6-propan-2-yl-6,7-dihydrobenzo[a]quinolizine-10-carboxylate;methyl 9-[1-(3-methoxypropyl)pyrazol-3-yl]-3-methyl-2-oxo-6-propan-2-yl-6,7-dihydrobenzo[a]quinolizine-10-carboxylate;methyl 3-methyl-2-oxo-9-phenyl-6-propan-2-yl-6,7-dihydrobenzo[a]quinolizine-10-carboxylate
CID 157256381
18-[4-[(6Z,8Z,10Z,12E)-4a,5-dihydrobenzo[10]annulen-6-yl]cyclohexa-1,3-dien-1-yl]-14-(4-pyridin-3-ylphenyl)-3-oxa-15,20-diazapentacyclo[11.8.0.02,10.04,9.016,21]henicosa-1(13),2(10),4,6,8,11,14,16(21),17,19-decaene;14-(3,5-diphenylphenyl)-3-oxa-15,18-diazapentacyclo[11.8.0.02,10.04,9.016,21]henicosa-1(13),2(10),4,6,8,11,14,16(21),17,19-decaene;14-[4-[3-(10-naphthalen-2-ylanthracen-9-yl)phenyl]phenyl]-3-oxa-15,18-diazapentacyclo[11.8.0.02,10.04,9.016,21]henicosa-1(13),2(10),4,6,8,11,14,16(21),17,19-decaene;14-(4-naphthalen-2-ylphenyl)-3-oxa-15,18-diazapentacyclo[11.8.0.02,10.04,9.016,21]henicosa-1(13),2(10),4,6,8,11,14,16(21),17,19-decaene
CID 157484695
4-(2,6-Dipyridin-2-yl-4-pyridinyl)-6-phenanthren-9-yl-[1]benzofuro[3,2-c]quinoline;4-[4-(2,6-dipyridin-2-yl-4-pyridinyl)phenyl]-6-phenanthren-9-yl-[1]benzofuro[3,2-c]quinoline;3-[4-(2,6-dipyridin-2-yl-4-pyridinyl)phenyl]-6-triphenylen-2-yl-[1]benzofuro[3,2-c]quinoline;3-(2,6-dipyridin-2-yl-4-pyridinyl)-6-triphenylen-2-yl-[1]benzofuro[3,2-c]quinoline
CID 157611891
14-Phenyl-11-(3-pyridin-2-ylisoquinolin-7-yl)-9-oxa-15-azapentacyclo[11.8.0.02,10.03,8.016,21]henicosa-1,3,5,7,10,12,14,16,18,20-decaene;14-phenyl-11-(2-pyridin-2-yl-4-pyridinyl)-9-oxa-15-azapentacyclo[11.8.0.02,10.03,8.016,21]henicosa-1,3,5,7,10,12,14,16,18,20-decaene;14-phenyl-11-(6-pyridin-2-yl-2-pyridinyl)-9-oxa-15-azapentacyclo[11.8.0.02,10.03,8.016,21]henicosa-1,3,5,7,10,12,14,16,18,20-decaene;14-phenyl-11-(6-pyridin-2-yl-3-pyridinyl)-9-oxa-15-azapentacyclo[11.8.0.02,10.03,8.016,21]henicosa-1,3,5,7,10,12,14,16,18,20-decaene
CID 158005831
1,3-Dimethyl-6-(5-methylnaphtho[2,1-b][1]benzofuran-6-yl)pyridazin-1-ium;1,4-dimethyl-6-(5-methylnaphtho[2,1-b][1]benzofuran-6-yl)pyridazin-1-ium;1,5-dimethyl-2-(5-methylnaphtho[2,1-b][1]benzofuran-6-yl)quinolin-1-ium;1-methyl-6-(5-methylnaphtho[2,1-b][1]benzofuran-6-yl)pyridazin-1-ium;1-methyl-6-(5-methylnaphtho[2,1-b][1]benzofuran-6-yl)-3-(trideuteriomethyl)pyridazin-1-ium
CID 158067616

Frequently Asked Questions

What is the IUPAC name of 1-[[4-(1-benzofuran-2-yl)cinnolin-6-yl]methyl]piperidin-4-amine;[4-(1-benzofuran-2-yl)isoquinolin-6-yl]methanol;4-(1-benzofuran-2-yl)-6-[(4-methylpiperidin-1-yl)methyl]cinnoline;4-methylpiperidine?
The IUPAC name of 1-[[4-(1-benzofuran-2-yl)cinnolin-6-yl]methyl]piperidin-4-amine;[4-(1-benzofuran-2-yl)isoquinolin-6-yl]methanol;4-(1-benzofuran-2-yl)-6-[(4-methylpiperidin-1-yl)methyl]cinnoline;4-methylpiperidine (CID 158878123) is 1-[[4-(1-benzofuran-2-yl)cinnolin-6-yl]methyl]piperidin-4-amine;[4-(1-benzofuran-2-yl)isoquinolin-6-yl]methanol;4-(1-benzofuran-2-yl)-6-[(4-methylpiperidin-1-yl)methyl]cinnoline;4-methylpiperidine.
What is the SMILES notation for 1-[[4-(1-benzofuran-2-yl)cinnolin-6-yl]methyl]piperidin-4-amine;[4-(1-benzofuran-2-yl)isoquinolin-6-yl]methanol;4-(1-benzofuran-2-yl)-6-[(4-methylpiperidin-1-yl)methyl]cinnoline;4-methylpiperidine?
The canonical SMILES for 1-[[4-(1-benzofuran-2-yl)cinnolin-6-yl]methyl]piperidin-4-amine;[4-(1-benzofuran-2-yl)isoquinolin-6-yl]methanol;4-(1-benzofuran-2-yl)-6-[(4-methylpiperidin-1-yl)methyl]cinnoline;4-methylpiperidine is CC1CCN(Cc2ccc3nncc(-c4cc5ccccc5o4)c3c2)CC1.CC1CCNCC1.NC1CCN(Cc2ccc3nncc(-c4cc5ccccc5o4)c3c2)CC1.OCc1ccc2cncc(-c3cc4ccccc4o3)c2c1.
What is the InChIKey of 1-[[4-(1-benzofuran-2-yl)cinnolin-6-yl]methyl]piperidin-4-amine;[4-(1-benzofuran-2-yl)isoquinolin-6-yl]methanol;4-(1-benzofuran-2-yl)-6-[(4-methylpiperidin-1-yl)methyl]cinnoline;4-methylpiperidine?
The InChIKey is JCRRMZBZELWCJE-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H23N3O.C22H22N4O.C18H13NO2.C6H13N/c1-16-8-10-26(11-9-16)15-17-6-7-21-19(12-17)20(14-24-25-21)23-13-18-4-2-3-5-22(18)27-23;23-17-7-9-26(10-8-17)14-15-5-6-20-18(11-15)19(13-24-25-20)22-12-16-3-1-2-4-21(16)27-22;20-11-12-5-6-14-9-19-10-16(15(14)7-12)18-8-13-3-1-2-4-17(13)21-18;1-6-2-4-7-5-3-6/h2-7,12-14,16H,8-11,15H2,1H3;1-6,11-13,17H,7-10,14,23H2;1-10,20H,11H2;6-7H,2-5H2,1H3.
What are the key properties of 1-[[4-(1-benzofuran-2-yl)cinnolin-6-yl]methyl]piperidin-4-amine;[4-(1-benzofuran-2-yl)isoquinolin-6-yl]methanol;4-(1-benzofuran-2-yl)-6-[(4-methylpiperidin-1-yl)methyl]cinnoline;4-methylpiperidine?
1-[[4-(1-benzofuran-2-yl)cinnolin-6-yl]methyl]piperidin-4-amine;[4-(1-benzofuran-2-yl)isoquinolin-6-yl]methanol;4-(1-benzofuran-2-yl)-6-[(4-methylpiperidin-1-yl)methyl]cinnoline;4-methylpiperidine has a molecular weight of 1090.39 g/mol, XLogP of 14.39, 8 rotatable bonds, 3 hydrogen bond donors, and 13 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[[4-(1-benzofuran-2-yl)cinnolin-6-yl]methyl]piperidin-4-amine;[4-(1-benzofuran-2-yl)isoquinolin-6-yl]methanol;4-(1-benzofuran-2-yl)-6-[(4-methylpiperidin-1-yl)methyl]cinnoline;4-methylpiperidine is sourced from PubChem (CID 158878123), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).