1-(15,16-diphenyl-23-piperidin-1-yl-13,18-dioxaheptacyclo[15.11.0.02,14.03,12.05,10.019,28.021,26]octacosa-1,3(12),4,6,8,10,14,16,19(28),20,22,24,26-tridecaen-8-yl)piperidine

C48H40N2O2 — CID 155361067

IUPAC1-(15,16-diphenyl-23-piperidin-1-yl-13,18-dioxaheptacyclo[15.11.0.02,14.03,12.05,10.019,28.021,26]octacosa-1,3(12),4,6,8,10,14,16,19(28),20,22,24,26-tridecaen-8-yl)piperidine
SMILESc1ccc(-c2c(-c3ccccc3)c3oc4cc5cc(N6CCCCC6)ccc5cc4c3c3c2oc2cc4cc(N5CCCCC5)ccc4cc23)cc1
InChIInChI=1S/C48H40N2O2/c1-5-13-31(14-6-1)43-44(32-15-7-2-8-16-32)48-46(40-28-34-18-20-38(50-23-11-4-12-24-50)26-36(34)30-42(40)52-48)45-39-27-33-17-19-37(49-21-9-3-10-22-49)25-35(33)29-41(39)51-47(43)45/h1-2,5-8,13-20,25-30H,3-4,9-12,21-24H2
InChIKeyOWIPVJGFLBROMI-UHFFFAOYSA-N
MW676.86 g/mol
LogP13.11
Rot. Bonds4

About 1-(15,16-diphenyl-23-piperidin-1-yl-13,18-dioxaheptacyclo[15.11.0.02,14.03,12.05,10.019,28.021,26]octacosa-1,3(12),4,6,8,10,14,16,19(28),20,22,24,26-tridecaen-8-yl)piperidine

1-(15,16-diphenyl-23-piperidin-1-yl-13,18-dioxaheptacyclo[15.11.0.02,14.03,12.05,10.019,28.021,26]octacosa-1,3(12),4,6,8,10,14,16,19(28),20,22,24,26-tridecaen-8-yl)piperidine (PubChem CID 155361067) has the molecular formula C48H40N2O2 and a molecular weight of 676.86 g/mol. Its IUPAC name is 1-(15,16-diphenyl-23-piperidin-1-yl-13,18-dioxaheptacyclo[15.11.0.02,14.03,12.05,10.019,28.021,26]octacosa-1,3(12),4,6,8,10,14,16,19(28),20,22,24,26-tridecaen-8-yl)piperidine.

Molecular Properties

Compound Name1-(15,16-diphenyl-23-piperidin-1-yl-13,18-dioxaheptacyclo[15.11.0.02,14.03,12.05,10.019,28.021,26]octacosa-1,3(12),4,6,8,10,14,16,19(28),20,22,24,26-tridecaen-8-yl)piperidine
PubChem CID155361067
Molecular FormulaC48H40N2O2
Molecular Weight676.86 g/mol
Exact Mass676.31
IUPAC Name1-(15,16-diphenyl-23-piperidin-1-yl-13,18-dioxaheptacyclo[15.11.0.02,14.03,12.05,10.019,28.021,26]octacosa-1,3(12),4,6,8,10,14,16,19(28),20,22,24,26-tridecaen-8-yl)piperidine
SMILESc1ccc(-c2c(-c3ccccc3)c3oc4cc5cc(N6CCCCC6)ccc5cc4c3c3c2oc2cc4cc(N5CCCCC5)ccc4cc23)cc1
InChIInChI=1S/C48H40N2O2/c1-5-13-31(14-6-1)43-44(32-15-7-2-8-16-32)48-46(40-28-34-18-20-38(50-23-11-4-12-24-50)26-36(34)30-42(40)52-48)45-39-27-33-17-19-37(49-21-9-3-10-22-49)25-35(33)29-41(39)51-47(43)45/h1-2,5-8,13-20,25-30H,3-4,9-12,21-24H2
InChIKeyOWIPVJGFLBROMI-UHFFFAOYSA-N
XLogP13.11
TPSA32.76 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms52
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500676.86
LogP ≤ 513.11
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

Analyze 1-(15,16-diphenyl-23-piperidin-1-yl-13,18-dioxaheptacyclo[15.11.0.02,14.03,12.05,10.019,28.021,26]octacosa-1,3(12),4,6,8,10,14,16,19(28),20,22,24,26-tridecaen-8-yl)piperidine with MolForge

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Related Compounds

1-[15,16-diphenyl-23-(4-propan-2-ylpiperidin-1-yl)-13,18-dioxaheptacyclo[15.11.0.02,14.03,12.05,10.019,28.021,26]octacosa-1,3(12),4,6,8,10,14,16,19(28),20,22,24,26-tridecaen-8-yl]-4-propan-2-ylpiperidine
CID 155361083
1-[2,16-diphenyl-23-(4-propan-2-ylpiperidin-1-yl)-14,28-dioxaheptacyclo[15.11.0.03,15.04,13.06,11.018,27.020,25]octacosa-1(17),2,4(13),5,7,9,11,15,18(27),19,21,23,25-tridecaen-9-yl]-4-propan-2-ylpiperidine
CID 155361794
1-[2-phenyl-23-(4-propan-2-ylpiperidin-1-yl)-14,28-dioxaheptacyclo[15.11.0.03,15.04,13.06,11.018,27.020,25]octacosa-1,3(15),4(13),5,7,9,11,16,18(27),19,21,23,25-tridecaen-9-yl]-4-propan-2-ylpiperidine
CID 155363101
9-(23-carbazol-9-yl-2-phenyl-14,28-dioxaheptacyclo[15.11.0.03,15.04,13.06,11.018,27.020,25]octacosa-1,3(15),4(13),5,7,9,11,16,18(27),19,21,23,25-tridecaen-9-yl)carbazole
CID 155363096
20-[4-(10-phenylanthracen-9-yl)phenyl]-25-oxahexacyclo[12.11.0.02,7.08,13.015,24.017,22]pentacosa-1(14),2,4,6,8,10,12,15(24),16,18,20,22-dodecaene
CID 130188605
1-(2-phenyl-1-benzofuran-5-yl)pyrrolidine
CID 168513405
1-[15-dibenzofuran-4-yl-23-(3,5-dimethylpiperidin-1-yl)-13,18-dioxaheptacyclo[15.11.0.02,14.03,12.05,10.019,28.021,26]octacosa-1(17),2(14),3(12),4,6,8,10,15,19(28),20,22,24,26-tridecaen-8-yl]-3,5-dimethylpiperidine
CID 155644810
1-[9-phenyl-10-(3-phenylnaphthalen-2-yl)-6-piperidin-1-ylanthracen-2-yl]piperidine
CID 59220156
4-methyl-1-[23-(4-methylpiperidin-1-yl)-15-propan-2-yl-3,28-dioxaheptacyclo[15.11.0.02,14.04,13.06,11.018,27.020,25]octacosa-1,4(13),5,7,9,11,14,16,18(27),19,21,23,25-tridecaen-8-yl]piperidine
CID 155362207
1-(23-piperidin-1-yl-14,28-dithiaheptacyclo[15.11.0.03,15.04,13.06,11.018,27.020,25]octacosa-1(17),2,4(13),5,7,9,11,15,18(27),19,21,23,25-tridecaen-9-yl)piperidine
CID 155361898
1-(23-piperidin-1-yl-13,18-dithiaheptacyclo[15.11.0.02,14.03,12.05,10.019,28.021,26]octacosa-1(17),2(14),3(12),4,6,8,10,15,19(28),20,22,24,26-tridecaen-8-yl)piperidine
CID 153251770
1-[23-(3,5-dimethylpiperidin-1-yl)-13,18-dioxaheptacyclo[15.11.0.02,14.03,12.05,10.019,28.021,26]octacosa-1(17),2(14),3(12),4,6,8,10,15,19(28),20,22,24,26-tridecaen-8-yl]-3,5-dimethylpiperidine
CID 155360353

Frequently Asked Questions

What is the IUPAC name of 1-(15,16-diphenyl-23-piperidin-1-yl-13,18-dioxaheptacyclo[15.11.0.02,14.03,12.05,10.019,28.021,26]octacosa-1,3(12),4,6,8,10,14,16,19(28),20,22,24,26-tridecaen-8-yl)piperidine?
The IUPAC name of 1-(15,16-diphenyl-23-piperidin-1-yl-13,18-dioxaheptacyclo[15.11.0.02,14.03,12.05,10.019,28.021,26]octacosa-1,3(12),4,6,8,10,14,16,19(28),20,22,24,26-tridecaen-8-yl)piperidine (CID 155361067) is 1-(15,16-diphenyl-23-piperidin-1-yl-13,18-dioxaheptacyclo[15.11.0.02,14.03,12.05,10.019,28.021,26]octacosa-1,3(12),4,6,8,10,14,16,19(28),20,22,24,26-tridecaen-8-yl)piperidine.
What is the SMILES notation for 1-(15,16-diphenyl-23-piperidin-1-yl-13,18-dioxaheptacyclo[15.11.0.02,14.03,12.05,10.019,28.021,26]octacosa-1,3(12),4,6,8,10,14,16,19(28),20,22,24,26-tridecaen-8-yl)piperidine?
The canonical SMILES for 1-(15,16-diphenyl-23-piperidin-1-yl-13,18-dioxaheptacyclo[15.11.0.02,14.03,12.05,10.019,28.021,26]octacosa-1,3(12),4,6,8,10,14,16,19(28),20,22,24,26-tridecaen-8-yl)piperidine is c1ccc(-c2c(-c3ccccc3)c3oc4cc5cc(N6CCCCC6)ccc5cc4c3c3c2oc2cc4cc(N5CCCCC5)ccc4cc23)cc1.
What is the InChIKey of 1-(15,16-diphenyl-23-piperidin-1-yl-13,18-dioxaheptacyclo[15.11.0.02,14.03,12.05,10.019,28.021,26]octacosa-1,3(12),4,6,8,10,14,16,19(28),20,22,24,26-tridecaen-8-yl)piperidine?
The InChIKey is OWIPVJGFLBROMI-UHFFFAOYSA-N. The full InChI is InChI=1S/C48H40N2O2/c1-5-13-31(14-6-1)43-44(32-15-7-2-8-16-32)48-46(40-28-34-18-20-38(50-23-11-4-12-24-50)26-36(34)30-42(40)52-48)45-39-27-33-17-19-37(49-21-9-3-10-22-49)25-35(33)29-41(39)51-47(43)45/h1-2,5-8,13-20,25-30H,3-4,9-12,21-24H2.
What are the key properties of 1-(15,16-diphenyl-23-piperidin-1-yl-13,18-dioxaheptacyclo[15.11.0.02,14.03,12.05,10.019,28.021,26]octacosa-1,3(12),4,6,8,10,14,16,19(28),20,22,24,26-tridecaen-8-yl)piperidine?
1-(15,16-diphenyl-23-piperidin-1-yl-13,18-dioxaheptacyclo[15.11.0.02,14.03,12.05,10.019,28.021,26]octacosa-1,3(12),4,6,8,10,14,16,19(28),20,22,24,26-tridecaen-8-yl)piperidine has a molecular weight of 676.86 g/mol, XLogP of 13.11, 4 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(15,16-diphenyl-23-piperidin-1-yl-13,18-dioxaheptacyclo[15.11.0.02,14.03,12.05,10.019,28.021,26]octacosa-1,3(12),4,6,8,10,14,16,19(28),20,22,24,26-tridecaen-8-yl)piperidine is sourced from PubChem (CID 155361067), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).