3-[9-(1-butylpiperidin-4-yl)-2-morpholin-4-ylpurin-6-yl]phenol;2-[6-(3-hydroxyphenyl)-2-morpholin-4-ylpurin-9-yl]-N-phenylacetamide;4-[6-(1H-inden-4-yl)-9-piperidin-4-ylpurin-2-yl]morpholine

C70H80N18O6 — CID 123384119

IUPAC3-[9-(1-butylpiperidin-4-yl)-2-morpholin-4-ylpurin-6-yl]phenol;2-[6-(3-hydroxyphenyl)-2-morpholin-4-ylpurin-9-yl]-N-phenylacetamide;4-[6-(1H-inden-4-yl)-9-piperidin-4-ylpurin-2-yl]morpholine
SMILESC1=Cc2c(cccc2-c2nc(N3CCOCC3)nc3c2ncn3C2CCNCC2)C1.CCCCN1CCC(n2cnc3c(-c4cccc(O)c4)nc(N4CCOCC4)nc32)CC1.O=C(Cn1cnc2c(-c3cccc(O)c3)nc(N3CCOCC3)nc21)Nc1ccccc1
InChIInChI=1S/C24H32N6O2.C23H22N6O3.C23H26N6O/c1-2-3-9-28-10-7-19(8-11-28)30-17-25-22-21(18-5-4-6-20(31)16-18)26-24(27-23(22)30)29-12-14-32-15-13-29;30-18-8-4-5-16(13-18)20-21-22(27-23(26-20)28-9-11-32-12-10-28)29(15-24-21)14-19(31)25-17-6-2-1-3-7-17;1-3-16-4-2-6-19(18(16)5-1)20-21-22(27-23(26-20)28-11-13-30-14-12-28)29(15-25-21)17-7-9-24-10-8-17/h4-6,16-17,19,31H,2-3,7-15H2,1H3;1-8,13,15,30H,9-12,14H2,(H,25,31);1-2,4-6,15,17,24H,3,7-14H2
InChIKeyQHSKQABMSJNPAX-UHFFFAOYSA-N
MW1269.53 g/mol
LogP8.97
Rot. Bonds14

About 3-[9-(1-butylpiperidin-4-yl)-2-morpholin-4-ylpurin-6-yl]phenol;2-[6-(3-hydroxyphenyl)-2-morpholin-4-ylpurin-9-yl]-N-phenylacetamide;4-[6-(1H-inden-4-yl)-9-piperidin-4-ylpurin-2-yl]morpholine

3-[9-(1-butylpiperidin-4-yl)-2-morpholin-4-ylpurin-6-yl]phenol;2-[6-(3-hydroxyphenyl)-2-morpholin-4-ylpurin-9-yl]-N-phenylacetamide;4-[6-(1H-inden-4-yl)-9-piperidin-4-ylpurin-2-yl]morpholine (PubChem CID 123384119) has the molecular formula C70H80N18O6 and a molecular weight of 1269.53 g/mol. Its IUPAC name is 3-[9-(1-butylpiperidin-4-yl)-2-morpholin-4-ylpurin-6-yl]phenol;2-[6-(3-hydroxyphenyl)-2-morpholin-4-ylpurin-9-yl]-N-phenylacetamide;4-[6-(1H-inden-4-yl)-9-piperidin-4-ylpurin-2-yl]morpholine.

Molecular Properties

Compound Name3-[9-(1-butylpiperidin-4-yl)-2-morpholin-4-ylpurin-6-yl]phenol;2-[6-(3-hydroxyphenyl)-2-morpholin-4-ylpurin-9-yl]-N-phenylacetamide;4-[6-(1H-inden-4-yl)-9-piperidin-4-ylpurin-2-yl]morpholine
PubChem CID123384119
Molecular FormulaC70H80N18O6
Molecular Weight1269.53 g/mol
Exact Mass1268.65
IUPAC Name3-[9-(1-butylpiperidin-4-yl)-2-morpholin-4-ylpurin-6-yl]phenol;2-[6-(3-hydroxyphenyl)-2-morpholin-4-ylpurin-9-yl]-N-phenylacetamide;4-[6-(1H-inden-4-yl)-9-piperidin-4-ylpurin-2-yl]morpholine
SMILESC1=Cc2c(cccc2-c2nc(N3CCOCC3)nc3c2ncn3C2CCNCC2)C1.CCCCN1CCC(n2cnc3c(-c4cccc(O)c4)nc(N4CCOCC4)nc32)CC1.O=C(Cn1cnc2c(-c3cccc(O)c3)nc(N3CCOCC3)nc21)Nc1ccccc1
InChIInChI=1S/C24H32N6O2.C23H22N6O3.C23H26N6O/c1-2-3-9-28-10-7-19(8-11-28)30-17-25-22-21(18-5-4-6-20(31)16-18)26-24(27-23(22)30)29-12-14-32-15-13-29;30-18-8-4-5-16(13-18)20-21-22(27-23(26-20)28-9-11-32-12-10-28)29(15-24-21)14-19(31)25-17-6-2-1-3-7-17;1-3-16-4-2-6-19(18(16)5-1)20-21-22(27-23(26-20)28-11-13-30-14-12-28)29(15-25-21)17-7-9-24-10-8-17/h4-6,16-17,19,31H,2-3,7-15H2,1H3;1-8,13,15,30H,9-12,14H2,(H,25,31);1-2,4-6,15,17,24H,3,7-14H2
InChIKeyQHSKQABMSJNPAX-UHFFFAOYSA-N
XLogP8.97
TPSA253.04 Ų
H-Bond Donors4
H-Bond Acceptors23
Rotatable Bonds14
Heavy Atoms94
Complexity—

Lipinski Rule of Five

3 violations

RuleValue
MW ≤ 5001269.53
LogP ≤ 58.97
H-Bond Donors ≤ 54
H-Bond Acceptors ≤ 1023

Analyze 3-[9-(1-butylpiperidin-4-yl)-2-morpholin-4-ylpurin-6-yl]phenol;2-[6-(3-hydroxyphenyl)-2-morpholin-4-ylpurin-9-yl]-N-phenylacetamide;4-[6-(1H-inden-4-yl)-9-piperidin-4-ylpurin-2-yl]morpholine with MolForge

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Related Compounds

4-[6-(3H-benzimidazol-5-yl)-9-benzylpurin-2-yl]morpholine;3-(9-benzyl-2-morpholin-4-ylpurin-6-yl)aniline;N-[4-[[6-(3-hydroxyphenyl)-2-morpholin-4-ylpurin-9-yl]methyl]phenyl]-3-piperidin-1-ylpropanamide;3-[9-(3-methylphenyl)-2-morpholin-4-ylpurin-6-yl]phenol;3-[2-morpholin-4-yl-9-[[4-(trifluoromethyl)phenyl]methyl]purin-6-yl]phenol
CID 158739479
4-[6-(3H-benzimidazol-5-yl)-9-benzylpurin-2-yl]morpholine;3-(9-benzyl-2-morpholin-4-ylpurin-6-yl)aniline;3-[9-[[4-(1,1-difluoroethyl)phenyl]methyl]-2-morpholin-4-ylpurin-6-yl]phenol;N-[4-[[6-(3-hydroxyphenyl)-2-morpholin-4-ylpurin-9-yl]methyl]phenyl]-3-piperidin-1-ylpropanamide;3-[9-(3-methylphenyl)-2-morpholin-4-ylpurin-6-yl]phenol
CID 162135954
N-{4-[6-(3-Hydroxy-phenyl)-2-morpholin-4-yl-purin-9-ylmethyl]-phenyl}-3-piperidin-1-yl-propionamide
CID 25255953
N-[4-[[6-(3-hydroxyphenyl)-2-morpholin-4-ylpurin-9-yl]methyl]phenyl]acetamide
CID 25256054
2-[6-(3-Hydroxyphenyl)-2-morpholin-4-ylpurin-9-yl]-1-(4-methylpiperazin-1-yl)ethanone
CID 25256460
2-[6-(3-hydroxyphenyl)-2-morpholin-4-ylpurin-9-yl]-N-propan-2-ylacetamide
CID 25256461
2-[6-(3-Hydroxyphenyl)-2-morpholin-4-ylpurin-9-yl]-1-morpholin-4-ylethanone
CID 58102412
N-[3-[[6-(3-hydroxyphenyl)-2-morpholin-4-ylpurin-9-yl]methyl]phenyl]acetamide
CID 58102440
N-cyclopropyl-2-[6-(3-hydroxyphenyl)-2-morpholin-4-ylpurin-9-yl]acetamide
CID 58102458
2-[6-(3-hydroxyphenyl)-2-morpholin-4-ylpurin-9-yl]-N-phenylacetamide
CID 58102477
[4-[6-(3-Hydroxyphenyl)-2-morpholin-4-ylpurin-9-yl]piperidin-1-yl]-(4-methylpiperazin-1-yl)methanone
CID 58285281
2-[6-(3-hydroxyphenyl)-2-morpholin-4-ylpurin-9-yl]-N-methylacetamide
CID 58285332

Frequently Asked Questions

What is the IUPAC name of 3-[9-(1-butylpiperidin-4-yl)-2-morpholin-4-ylpurin-6-yl]phenol;2-[6-(3-hydroxyphenyl)-2-morpholin-4-ylpurin-9-yl]-N-phenylacetamide;4-[6-(1H-inden-4-yl)-9-piperidin-4-ylpurin-2-yl]morpholine?
The IUPAC name of 3-[9-(1-butylpiperidin-4-yl)-2-morpholin-4-ylpurin-6-yl]phenol;2-[6-(3-hydroxyphenyl)-2-morpholin-4-ylpurin-9-yl]-N-phenylacetamide;4-[6-(1H-inden-4-yl)-9-piperidin-4-ylpurin-2-yl]morpholine (CID 123384119) is 3-[9-(1-butylpiperidin-4-yl)-2-morpholin-4-ylpurin-6-yl]phenol;2-[6-(3-hydroxyphenyl)-2-morpholin-4-ylpurin-9-yl]-N-phenylacetamide;4-[6-(1H-inden-4-yl)-9-piperidin-4-ylpurin-2-yl]morpholine.
What is the SMILES notation for 3-[9-(1-butylpiperidin-4-yl)-2-morpholin-4-ylpurin-6-yl]phenol;2-[6-(3-hydroxyphenyl)-2-morpholin-4-ylpurin-9-yl]-N-phenylacetamide;4-[6-(1H-inden-4-yl)-9-piperidin-4-ylpurin-2-yl]morpholine?
The canonical SMILES for 3-[9-(1-butylpiperidin-4-yl)-2-morpholin-4-ylpurin-6-yl]phenol;2-[6-(3-hydroxyphenyl)-2-morpholin-4-ylpurin-9-yl]-N-phenylacetamide;4-[6-(1H-inden-4-yl)-9-piperidin-4-ylpurin-2-yl]morpholine is C1=Cc2c(cccc2-c2nc(N3CCOCC3)nc3c2ncn3C2CCNCC2)C1.CCCCN1CCC(n2cnc3c(-c4cccc(O)c4)nc(N4CCOCC4)nc32)CC1.O=C(Cn1cnc2c(-c3cccc(O)c3)nc(N3CCOCC3)nc21)Nc1ccccc1.
What is the InChIKey of 3-[9-(1-butylpiperidin-4-yl)-2-morpholin-4-ylpurin-6-yl]phenol;2-[6-(3-hydroxyphenyl)-2-morpholin-4-ylpurin-9-yl]-N-phenylacetamide;4-[6-(1H-inden-4-yl)-9-piperidin-4-ylpurin-2-yl]morpholine?
The InChIKey is QHSKQABMSJNPAX-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H32N6O2.C23H22N6O3.C23H26N6O/c1-2-3-9-28-10-7-19(8-11-28)30-17-25-22-21(18-5-4-6-20(31)16-18)26-24(27-23(22)30)29-12-14-32-15-13-29;30-18-8-4-5-16(13-18)20-21-22(27-23(26-20)28-9-11-32-12-10-28)29(15-24-21)14-19(31)25-17-6-2-1-3-7-17;1-3-16-4-2-6-19(18(16)5-1)20-21-22(27-23(26-20)28-11-13-30-14-12-28)29(15-25-21)17-7-9-24-10-8-17/h4-6,16-17,19,31H,2-3,7-15H2,1H3;1-8,13,15,30H,9-12,14H2,(H,25,31);1-2,4-6,15,17,24H,3,7-14H2.
What are the key properties of 3-[9-(1-butylpiperidin-4-yl)-2-morpholin-4-ylpurin-6-yl]phenol;2-[6-(3-hydroxyphenyl)-2-morpholin-4-ylpurin-9-yl]-N-phenylacetamide;4-[6-(1H-inden-4-yl)-9-piperidin-4-ylpurin-2-yl]morpholine?
3-[9-(1-butylpiperidin-4-yl)-2-morpholin-4-ylpurin-6-yl]phenol;2-[6-(3-hydroxyphenyl)-2-morpholin-4-ylpurin-9-yl]-N-phenylacetamide;4-[6-(1H-inden-4-yl)-9-piperidin-4-ylpurin-2-yl]morpholine has a molecular weight of 1269.53 g/mol, XLogP of 8.97, 14 rotatable bonds, 4 hydrogen bond donors, and 23 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[9-(1-butylpiperidin-4-yl)-2-morpholin-4-ylpurin-6-yl]phenol;2-[6-(3-hydroxyphenyl)-2-morpholin-4-ylpurin-9-yl]-N-phenylacetamide;4-[6-(1H-inden-4-yl)-9-piperidin-4-ylpurin-2-yl]morpholine is sourced from PubChem (CID 123384119), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).