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

C54H52N2O2 — CID 155361083

IUPAC1-[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
SMILESCC(C)C1CCN(c2ccc3cc4c(cc3c2)oc2c(-c3ccccc3)c(-c3ccccc3)c3oc5cc6cc(N7CCC(C(C)C)CC7)ccc6cc5c3c24)CC1
InChIInChI=1S/C54H52N2O2/c1-33(2)35-19-23-55(24-20-35)43-17-15-39-29-45-47(31-41(39)27-43)57-53-49(37-11-7-5-8-12-37)50(38-13-9-6-10-14-38)54-52(51(45)53)46-30-40-16-18-44(28-42(40)32-48(46)58-54)56-25-21-36(22-26-56)34(3)4/h5-18,27-36H,19-26H2,1-4H3
InChIKeyONIRVTNAJZIVTM-UHFFFAOYSA-N
MW761.02 g/mol
LogP14.87
Rot. Bonds6

About 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

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 (PubChem CID 155361083) has the molecular formula C54H52N2O2 and a molecular weight of 761.02 g/mol. Its IUPAC name is 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.

Molecular Properties

Compound Name1-[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
PubChem CID155361083
Molecular FormulaC54H52N2O2
Molecular Weight761.02 g/mol
Exact Mass760.40
IUPAC Name1-[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
SMILESCC(C)C1CCN(c2ccc3cc4c(cc3c2)oc2c(-c3ccccc3)c(-c3ccccc3)c3oc5cc6cc(N7CCC(C(C)C)CC7)ccc6cc5c3c24)CC1
InChIInChI=1S/C54H52N2O2/c1-33(2)35-19-23-55(24-20-35)43-17-15-39-29-45-47(31-41(39)27-43)57-53-49(37-11-7-5-8-12-37)50(38-13-9-6-10-14-38)54-52(51(45)53)46-30-40-16-18-44(28-42(40)32-48(46)58-54)56-25-21-36(22-26-56)34(3)4/h5-18,27-36H,19-26H2,1-4H3
InChIKeyONIRVTNAJZIVTM-UHFFFAOYSA-N
XLogP14.87
TPSA32.76 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms58
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500761.02
LogP ≤ 514.87
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

Analyze 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 with MolForge

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Related Compounds

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
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
4-propan-2-yl-1-[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]piperidine
CID 155361416
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
15,16-diphenyl-8-N,8-N,23-N,23-N-tetrakis(4-propan-2-ylphenyl)-13,28-dioxaheptacyclo[15.11.0.02,14.03,12.05,10.018,27.020,25]octacosa-1,3(12),4,6,8,10,14,16,18(27),19,21,23,25-tridecaene-8,23-diamine
CID 155360857
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
9-(23-carbazol-9-yl-14,18-dioxaheptacyclo[15.11.0.03,15.04,13.06,11.019,28.021,26]octacosa-1(17),2,4(13),5,7,9,11,15,19(28),20,22,24,26-tridecaen-9-yl)carbazole;9-[23-[3,6-di(propan-2-yl)carbazol-9-yl]-14,18-dioxaheptacyclo[15.11.0.03,15.04,13.06,11.019,28.021,26]octacosa-1(17),2,4(13),5,7,9,11,15,19(28),20,22,24,26-tridecaen-9-yl]-3,6-di(propan-2-yl)carbazole;2-methyl-1-[23-(2-methylpiperidin-1-yl)-14,18-dioxaheptacyclo[15.11.0.03,15.04,13.06,11.019,28.021,26]octacosa-1(17),2,4(13),5,7,9,11,15,19(28),20,22,24,26-tridecaen-9-yl]piperidine;4-methyl-1-[23-(4-methylpiperidin-1-yl)-14,18-dioxaheptacyclo[15.11.0.03,15.04,13.06,11.019,28.021,26]octacosa-1(17),2,4(13),5,7,9,11,15,19(28),20,22,24,26-tridecaen-9-yl]piperidine;1-(23-piperidin-1-yl-14,18-dioxaheptacyclo[15.11.0.03,15.04,13.06,11.019,28.021,26]octacosa-1(17),2,4(13),5,7,9,11,15,19(28),20,22,24,26-tridecaen-9-yl)piperidine;4-propan-2-yl-1-[23-(4-propan-2-ylpiperidin-1-yl)-14,18-dioxaheptacyclo[15.11.0.03,15.04,13.06,11.019,28.021,26]octacosa-1(17),2,4(13),5,7,9,11,15,19(28),20,22,24,26-tridecaen-9-yl]piperidine
CID 158286547
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-[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-[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
2,16-bis(4-ethylphenyl)-14,28-dioxaheptacyclo[15.11.0.03,15.04,13.06,11.018,27.020,25]octacosa-1(17),2,4,6,8,10,12,15,18,20,22,24,26-tridecaene
CID 118151067

Frequently Asked Questions

What is the IUPAC name of 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?
The IUPAC name of 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) is 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.
What is the SMILES notation for 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?
The canonical SMILES for 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 is CC(C)C1CCN(c2ccc3cc4c(cc3c2)oc2c(-c3ccccc3)c(-c3ccccc3)c3oc5cc6cc(N7CCC(C(C)C)CC7)ccc6cc5c3c24)CC1.
What is the InChIKey of 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?
The InChIKey is ONIRVTNAJZIVTM-UHFFFAOYSA-N. The full InChI is InChI=1S/C54H52N2O2/c1-33(2)35-19-23-55(24-20-35)43-17-15-39-29-45-47(31-41(39)27-43)57-53-49(37-11-7-5-8-12-37)50(38-13-9-6-10-14-38)54-52(51(45)53)46-30-40-16-18-44(28-42(40)32-48(46)58-54)56-25-21-36(22-26-56)34(3)4/h5-18,27-36H,19-26H2,1-4H3.
What are the key properties of 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?
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 has a molecular weight of 761.02 g/mol, XLogP of 14.87, 6 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-(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 is sourced from PubChem (CID 155361083), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).