11,26-di(piperidin-1-yl)-7,18-bis[2-(2-piperidin-1-ylethoxy)ethyl]-7,18-diazaheptacyclo[14.6.2.22,5.03,12.04,9.013,23.020,24]hexacosa-1(23),2(26),3,5(25),9,11,13,15,20(24),21-decaene-6,8,17,19-tetrone

C52H62N6O6 — CID 51349408

IUPAC11,26-di(piperidin-1-yl)-7,18-bis[2-(2-piperidin-1-ylethoxy)ethyl]-7,18-diazaheptacyclo[14.6.2.22,5.03,12.04,9.013,23.020,24]hexacosa-1(23),2(26),3,5(25),9,11,13,15,20(24),21-decaene-6,8,17,19-tetrone
SMILESO=C1c2ccc3c4c(N5CCCCC5)cc5c6c(cc(N7CCCCC7)c(c7ccc(c2c37)C(=O)N1CCOCCN1CCCCC1)c64)C(=O)N(CCOCCN1CCCCC1)C5=O
InChIInChI=1S/C52H62N6O6/c59-49-37-15-13-35-43-36(14-16-38(44(37)43)50(60)57(49)27-31-63-29-25-53-17-5-1-6-18-53)47-42(56-23-11-4-12-24-56)34-40-45-39(33-41(46(35)48(45)47)55-21-9-3-10-22-55)51(61)58(52(40)62)28-32-64-30-26-54-19-7-2-8-20-54/h13-16,33-34H,1-12,17-32H2
InChIKeyYTDSFBWAZHXQMO-UHFFFAOYSA-N
MW867.10 g/mol
LogP7.91
Rot. Bonds14

About 11,26-di(piperidin-1-yl)-7,18-bis[2-(2-piperidin-1-ylethoxy)ethyl]-7,18-diazaheptacyclo[14.6.2.22,5.03,12.04,9.013,23.020,24]hexacosa-1(23),2(26),3,5(25),9,11,13,15,20(24),21-decaene-6,8,17,19-tetrone

11,26-di(piperidin-1-yl)-7,18-bis[2-(2-piperidin-1-ylethoxy)ethyl]-7,18-diazaheptacyclo[14.6.2.22,5.03,12.04,9.013,23.020,24]hexacosa-1(23),2(26),3,5(25),9,11,13,15,20(24),21-decaene-6,8,17,19-tetrone (PubChem CID 51349408) has the molecular formula C52H62N6O6 and a molecular weight of 867.10 g/mol. Its IUPAC name is 11,26-di(piperidin-1-yl)-7,18-bis[2-(2-piperidin-1-ylethoxy)ethyl]-7,18-diazaheptacyclo[14.6.2.22,5.03,12.04,9.013,23.020,24]hexacosa-1(23),2(26),3,5(25),9,11,13,15,20(24),21-decaene-6,8,17,19-tetrone.

Molecular Properties

Compound Name11,26-di(piperidin-1-yl)-7,18-bis[2-(2-piperidin-1-ylethoxy)ethyl]-7,18-diazaheptacyclo[14.6.2.22,5.03,12.04,9.013,23.020,24]hexacosa-1(23),2(26),3,5(25),9,11,13,15,20(24),21-decaene-6,8,17,19-tetrone
PubChem CID51349408
Molecular FormulaC52H62N6O6
Molecular Weight867.10 g/mol
Exact Mass866.47
IUPAC Name11,26-di(piperidin-1-yl)-7,18-bis[2-(2-piperidin-1-ylethoxy)ethyl]-7,18-diazaheptacyclo[14.6.2.22,5.03,12.04,9.013,23.020,24]hexacosa-1(23),2(26),3,5(25),9,11,13,15,20(24),21-decaene-6,8,17,19-tetrone
SMILESO=C1c2ccc3c4c(N5CCCCC5)cc5c6c(cc(N7CCCCC7)c(c7ccc(c2c37)C(=O)N1CCOCCN1CCCCC1)c64)C(=O)N(CCOCCN1CCCCC1)C5=O
InChIInChI=1S/C52H62N6O6/c59-49-37-15-13-35-43-36(14-16-38(44(37)43)50(60)57(49)27-31-63-29-25-53-17-5-1-6-18-53)47-42(56-23-11-4-12-24-56)34-40-45-39(33-41(46(35)48(45)47)55-21-9-3-10-22-55)51(61)58(52(40)62)28-32-64-30-26-54-19-7-2-8-20-54/h13-16,33-34H,1-12,17-32H2
InChIKeyYTDSFBWAZHXQMO-UHFFFAOYSA-N
XLogP7.91
TPSA106.18 Ų
H-Bond Donors
H-Bond Acceptors10
Rotatable Bonds14
Heavy Atoms64
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500867.10
LogP ≤ 57.91
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 1010

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}, {'alert_name': 'phthalimide', 'substructure': 'N/A'}, {'alert_name': 'Polycyclic_aromatic_hydrocarbon_2', 'substructure': 'N/A'}, {'alert_name': 'Polycyclic_aromatic_hydrocarbon_3', 'substructure': 'N/A'}

Analyze 11,26-di(piperidin-1-yl)-7,18-bis[2-(2-piperidin-1-ylethoxy)ethyl]-7,18-diazaheptacyclo[14.6.2.22,5.03,12.04,9.013,23.020,24]hexacosa-1(23),2(26),3,5(25),9,11,13,15,20(24),21-decaene-6,8,17,19-tetrone with MolForge

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Frequently Asked Questions

What is the IUPAC name of 11,26-di(piperidin-1-yl)-7,18-bis[2-(2-piperidin-1-ylethoxy)ethyl]-7,18-diazaheptacyclo[14.6.2.22,5.03,12.04,9.013,23.020,24]hexacosa-1(23),2(26),3,5(25),9,11,13,15,20(24),21-decaene-6,8,17,19-tetrone?
The IUPAC name of 11,26-di(piperidin-1-yl)-7,18-bis[2-(2-piperidin-1-ylethoxy)ethyl]-7,18-diazaheptacyclo[14.6.2.22,5.03,12.04,9.013,23.020,24]hexacosa-1(23),2(26),3,5(25),9,11,13,15,20(24),21-decaene-6,8,17,19-tetrone (CID 51349408) is 11,26-di(piperidin-1-yl)-7,18-bis[2-(2-piperidin-1-ylethoxy)ethyl]-7,18-diazaheptacyclo[14.6.2.22,5.03,12.04,9.013,23.020,24]hexacosa-1(23),2(26),3,5(25),9,11,13,15,20(24),21-decaene-6,8,17,19-tetrone.
What is the SMILES notation for 11,26-di(piperidin-1-yl)-7,18-bis[2-(2-piperidin-1-ylethoxy)ethyl]-7,18-diazaheptacyclo[14.6.2.22,5.03,12.04,9.013,23.020,24]hexacosa-1(23),2(26),3,5(25),9,11,13,15,20(24),21-decaene-6,8,17,19-tetrone?
The canonical SMILES for 11,26-di(piperidin-1-yl)-7,18-bis[2-(2-piperidin-1-ylethoxy)ethyl]-7,18-diazaheptacyclo[14.6.2.22,5.03,12.04,9.013,23.020,24]hexacosa-1(23),2(26),3,5(25),9,11,13,15,20(24),21-decaene-6,8,17,19-tetrone is O=C1c2ccc3c4c(N5CCCCC5)cc5c6c(cc(N7CCCCC7)c(c7ccc(c2c37)C(=O)N1CCOCCN1CCCCC1)c64)C(=O)N(CCOCCN1CCCCC1)C5=O.
What is the InChIKey of 11,26-di(piperidin-1-yl)-7,18-bis[2-(2-piperidin-1-ylethoxy)ethyl]-7,18-diazaheptacyclo[14.6.2.22,5.03,12.04,9.013,23.020,24]hexacosa-1(23),2(26),3,5(25),9,11,13,15,20(24),21-decaene-6,8,17,19-tetrone?
The InChIKey is YTDSFBWAZHXQMO-UHFFFAOYSA-N. The full InChI is InChI=1S/C52H62N6O6/c59-49-37-15-13-35-43-36(14-16-38(44(37)43)50(60)57(49)27-31-63-29-25-53-17-5-1-6-18-53)47-42(56-23-11-4-12-24-56)34-40-45-39(33-41(46(35)48(45)47)55-21-9-3-10-22-55)51(61)58(52(40)62)28-32-64-30-26-54-19-7-2-8-20-54/h13-16,33-34H,1-12,17-32H2.
What are the key properties of 11,26-di(piperidin-1-yl)-7,18-bis[2-(2-piperidin-1-ylethoxy)ethyl]-7,18-diazaheptacyclo[14.6.2.22,5.03,12.04,9.013,23.020,24]hexacosa-1(23),2(26),3,5(25),9,11,13,15,20(24),21-decaene-6,8,17,19-tetrone?
11,26-di(piperidin-1-yl)-7,18-bis[2-(2-piperidin-1-ylethoxy)ethyl]-7,18-diazaheptacyclo[14.6.2.22,5.03,12.04,9.013,23.020,24]hexacosa-1(23),2(26),3,5(25),9,11,13,15,20(24),21-decaene-6,8,17,19-tetrone has a molecular weight of 867.10 g/mol, XLogP of 7.91, 14 rotatable bonds, 0 hydrogen bond donors, and 10 hydrogen bond acceptors.
Where does this data come from?
All data for 11,26-di(piperidin-1-yl)-7,18-bis[2-(2-piperidin-1-ylethoxy)ethyl]-7,18-diazaheptacyclo[14.6.2.22,5.03,12.04,9.013,23.020,24]hexacosa-1(23),2(26),3,5(25),9,11,13,15,20(24),21-decaene-6,8,17,19-tetrone is sourced from PubChem (CID 51349408), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).