7-methyl-22-propan-2-ylspiro[10-oxa-2,8,18,20,24,25,26-heptazatetracyclo[17.6.1.04,9.021,25]hexacosa-1(26),4(9),5,7,19,21,23-heptaene-16,4'-piperidine]

C26H38N8O — CID 177382887

IUPAC7-methyl-22-propan-2-ylspiro[10-oxa-2,8,18,20,24,25,26-heptazatetracyclo[17.6.1.04,9.021,25]hexacosa-1(26),4(9),5,7,19,21,23-heptaene-16,4'-piperidine]
SMILESCc1ccc2c(n1)OCCCCCC1(CCNCC1)CNc1nc(n3ncc(C(C)C)c3n1)NC2
InChIInChI=1S/C26H38N8O/c1-18(2)21-16-30-34-22(21)32-24-29-17-26(10-12-27-13-11-26)9-5-4-6-14-35-23-20(8-7-19(3)31-23)15-28-25(34)33-24/h7-8,16,18,27H,4-6,9-15,17H2,1-3H3,(H2,28,29,32,33)
InChIKeyCWZJJLMGMPZMDY-UHFFFAOYSA-N
MW478.65 g/mol
LogP4.30
Rot. Bonds1

About 7-methyl-22-propan-2-ylspiro[10-oxa-2,8,18,20,24,25,26-heptazatetracyclo[17.6.1.04,9.021,25]hexacosa-1(26),4(9),5,7,19,21,23-heptaene-16,4'-piperidine]

7-methyl-22-propan-2-ylspiro[10-oxa-2,8,18,20,24,25,26-heptazatetracyclo[17.6.1.04,9.021,25]hexacosa-1(26),4(9),5,7,19,21,23-heptaene-16,4'-piperidine] (PubChem CID 177382887) has the molecular formula C26H38N8O and a molecular weight of 478.65 g/mol. Its IUPAC name is 7-methyl-22-propan-2-ylspiro[10-oxa-2,8,18,20,24,25,26-heptazatetracyclo[17.6.1.04,9.021,25]hexacosa-1(26),4(9),5,7,19,21,23-heptaene-16,4'-piperidine].

Molecular Properties

Compound Name7-methyl-22-propan-2-ylspiro[10-oxa-2,8,18,20,24,25,26-heptazatetracyclo[17.6.1.04,9.021,25]hexacosa-1(26),4(9),5,7,19,21,23-heptaene-16,4'-piperidine]
PubChem CID177382887
Molecular FormulaC26H38N8O
Molecular Weight478.65 g/mol
Exact Mass478.32
IUPAC Name7-methyl-22-propan-2-ylspiro[10-oxa-2,8,18,20,24,25,26-heptazatetracyclo[17.6.1.04,9.021,25]hexacosa-1(26),4(9),5,7,19,21,23-heptaene-16,4'-piperidine]
SMILESCc1ccc2c(n1)OCCCCCC1(CCNCC1)CNc1nc(n3ncc(C(C)C)c3n1)NC2
InChIInChI=1S/C26H38N8O/c1-18(2)21-16-30-34-22(21)32-24-29-17-26(10-12-27-13-11-26)9-5-4-6-14-35-23-20(8-7-19(3)31-23)15-28-25(34)33-24/h7-8,16,18,27H,4-6,9-15,17H2,1-3H3,(H2,28,29,32,33)
InChIKeyCWZJJLMGMPZMDY-UHFFFAOYSA-N
XLogP4.30
TPSA101.29 Ų
H-Bond Donors3
H-Bond Acceptors9
Rotatable Bonds1
Heavy Atoms35
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500478.65
LogP ≤ 54.30
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 109

Analyze 7-methyl-22-propan-2-ylspiro[10-oxa-2,8,18,20,24,25,26-heptazatetracyclo[17.6.1.04,9.021,25]hexacosa-1(26),4(9),5,7,19,21,23-heptaene-16,4'-piperidine] with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of 7-methyl-22-propan-2-ylspiro[10-oxa-2,8,18,20,24,25,26-heptazatetracyclo[17.6.1.04,9.021,25]hexacosa-1(26),4(9),5,7,19,21,23-heptaene-16,4'-piperidine]?
The IUPAC name of 7-methyl-22-propan-2-ylspiro[10-oxa-2,8,18,20,24,25,26-heptazatetracyclo[17.6.1.04,9.021,25]hexacosa-1(26),4(9),5,7,19,21,23-heptaene-16,4'-piperidine] (CID 177382887) is 7-methyl-22-propan-2-ylspiro[10-oxa-2,8,18,20,24,25,26-heptazatetracyclo[17.6.1.04,9.021,25]hexacosa-1(26),4(9),5,7,19,21,23-heptaene-16,4'-piperidine].
What is the SMILES notation for 7-methyl-22-propan-2-ylspiro[10-oxa-2,8,18,20,24,25,26-heptazatetracyclo[17.6.1.04,9.021,25]hexacosa-1(26),4(9),5,7,19,21,23-heptaene-16,4'-piperidine]?
The canonical SMILES for 7-methyl-22-propan-2-ylspiro[10-oxa-2,8,18,20,24,25,26-heptazatetracyclo[17.6.1.04,9.021,25]hexacosa-1(26),4(9),5,7,19,21,23-heptaene-16,4'-piperidine] is Cc1ccc2c(n1)OCCCCCC1(CCNCC1)CNc1nc(n3ncc(C(C)C)c3n1)NC2.
What is the InChIKey of 7-methyl-22-propan-2-ylspiro[10-oxa-2,8,18,20,24,25,26-heptazatetracyclo[17.6.1.04,9.021,25]hexacosa-1(26),4(9),5,7,19,21,23-heptaene-16,4'-piperidine]?
The InChIKey is CWZJJLMGMPZMDY-UHFFFAOYSA-N. The full InChI is InChI=1S/C26H38N8O/c1-18(2)21-16-30-34-22(21)32-24-29-17-26(10-12-27-13-11-26)9-5-4-6-14-35-23-20(8-7-19(3)31-23)15-28-25(34)33-24/h7-8,16,18,27H,4-6,9-15,17H2,1-3H3,(H2,28,29,32,33).
What are the key properties of 7-methyl-22-propan-2-ylspiro[10-oxa-2,8,18,20,24,25,26-heptazatetracyclo[17.6.1.04,9.021,25]hexacosa-1(26),4(9),5,7,19,21,23-heptaene-16,4'-piperidine]?
7-methyl-22-propan-2-ylspiro[10-oxa-2,8,18,20,24,25,26-heptazatetracyclo[17.6.1.04,9.021,25]hexacosa-1(26),4(9),5,7,19,21,23-heptaene-16,4'-piperidine] has a molecular weight of 478.65 g/mol, XLogP of 4.30, 1 rotatable bonds, 3 hydrogen bond donors, and 9 hydrogen bond acceptors.
Where does this data come from?
All data for 7-methyl-22-propan-2-ylspiro[10-oxa-2,8,18,20,24,25,26-heptazatetracyclo[17.6.1.04,9.021,25]hexacosa-1(26),4(9),5,7,19,21,23-heptaene-16,4'-piperidine] is sourced from PubChem (CID 177382887), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).