16-(piperidin-4-ylmethyl)-20-propan-2-yl-10-oxa-2,16,18,22,23,24-hexazatetracyclo[15.6.1.04,9.019,23]tetracosa-1(24),4,6,8,17,19,21-heptaene

C26H37N7O — CID 177382856

IUPAC16-(piperidin-4-ylmethyl)-20-propan-2-yl-10-oxa-2,16,18,22,23,24-hexazatetracyclo[15.6.1.04,9.019,23]tetracosa-1(24),4,6,8,17,19,21-heptaene
SMILESCC(C)c1cnn2c3nc(nc12)N(CC1CCNCC1)CCCCCOc1ccccc1CN3
InChIInChI=1S/C26H37N7O/c1-19(2)22-17-29-33-24(22)30-26-31-25(33)28-16-21-8-4-5-9-23(21)34-15-7-3-6-14-32(26)18-20-10-12-27-13-11-20/h4-5,8-9,17,19-20,27H,3,6-7,10-16,18H2,1-2H3,(H,28,30,31)
InChIKeyNRKPJTBUHZKLGS-UHFFFAOYSA-N
MW463.63 g/mol
LogP4.23
Rot. Bonds3

About 16-(piperidin-4-ylmethyl)-20-propan-2-yl-10-oxa-2,16,18,22,23,24-hexazatetracyclo[15.6.1.04,9.019,23]tetracosa-1(24),4,6,8,17,19,21-heptaene

16-(piperidin-4-ylmethyl)-20-propan-2-yl-10-oxa-2,16,18,22,23,24-hexazatetracyclo[15.6.1.04,9.019,23]tetracosa-1(24),4,6,8,17,19,21-heptaene (PubChem CID 177382856) has the molecular formula C26H37N7O and a molecular weight of 463.63 g/mol. Its IUPAC name is 16-(piperidin-4-ylmethyl)-20-propan-2-yl-10-oxa-2,16,18,22,23,24-hexazatetracyclo[15.6.1.04,9.019,23]tetracosa-1(24),4,6,8,17,19,21-heptaene.

Molecular Properties

Compound Name16-(piperidin-4-ylmethyl)-20-propan-2-yl-10-oxa-2,16,18,22,23,24-hexazatetracyclo[15.6.1.04,9.019,23]tetracosa-1(24),4,6,8,17,19,21-heptaene
PubChem CID177382856
Molecular FormulaC26H37N7O
Molecular Weight463.63 g/mol
Exact Mass463.31
IUPAC Name16-(piperidin-4-ylmethyl)-20-propan-2-yl-10-oxa-2,16,18,22,23,24-hexazatetracyclo[15.6.1.04,9.019,23]tetracosa-1(24),4,6,8,17,19,21-heptaene
SMILESCC(C)c1cnn2c3nc(nc12)N(CC1CCNCC1)CCCCCOc1ccccc1CN3
InChIInChI=1S/C26H37N7O/c1-19(2)22-17-29-33-24(22)30-26-31-25(33)28-16-21-8-4-5-9-23(21)34-15-7-3-6-14-32(26)18-20-10-12-27-13-11-20/h4-5,8-9,17,19-20,27H,3,6-7,10-16,18H2,1-2H3,(H,28,30,31)
InChIKeyNRKPJTBUHZKLGS-UHFFFAOYSA-N
XLogP4.23
TPSA79.61 Ų
H-Bond Donors2
H-Bond Acceptors8
Rotatable Bonds3
Heavy Atoms34
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500463.63
LogP ≤ 54.23
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 108

Analyze 16-(piperidin-4-ylmethyl)-20-propan-2-yl-10-oxa-2,16,18,22,23,24-hexazatetracyclo[15.6.1.04,9.019,23]tetracosa-1(24),4,6,8,17,19,21-heptaene with MolForge

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Frequently Asked Questions

What is the IUPAC name of 16-(piperidin-4-ylmethyl)-20-propan-2-yl-10-oxa-2,16,18,22,23,24-hexazatetracyclo[15.6.1.04,9.019,23]tetracosa-1(24),4,6,8,17,19,21-heptaene?
The IUPAC name of 16-(piperidin-4-ylmethyl)-20-propan-2-yl-10-oxa-2,16,18,22,23,24-hexazatetracyclo[15.6.1.04,9.019,23]tetracosa-1(24),4,6,8,17,19,21-heptaene (CID 177382856) is 16-(piperidin-4-ylmethyl)-20-propan-2-yl-10-oxa-2,16,18,22,23,24-hexazatetracyclo[15.6.1.04,9.019,23]tetracosa-1(24),4,6,8,17,19,21-heptaene.
What is the SMILES notation for 16-(piperidin-4-ylmethyl)-20-propan-2-yl-10-oxa-2,16,18,22,23,24-hexazatetracyclo[15.6.1.04,9.019,23]tetracosa-1(24),4,6,8,17,19,21-heptaene?
The canonical SMILES for 16-(piperidin-4-ylmethyl)-20-propan-2-yl-10-oxa-2,16,18,22,23,24-hexazatetracyclo[15.6.1.04,9.019,23]tetracosa-1(24),4,6,8,17,19,21-heptaene is CC(C)c1cnn2c3nc(nc12)N(CC1CCNCC1)CCCCCOc1ccccc1CN3.
What is the InChIKey of 16-(piperidin-4-ylmethyl)-20-propan-2-yl-10-oxa-2,16,18,22,23,24-hexazatetracyclo[15.6.1.04,9.019,23]tetracosa-1(24),4,6,8,17,19,21-heptaene?
The InChIKey is NRKPJTBUHZKLGS-UHFFFAOYSA-N. The full InChI is InChI=1S/C26H37N7O/c1-19(2)22-17-29-33-24(22)30-26-31-25(33)28-16-21-8-4-5-9-23(21)34-15-7-3-6-14-32(26)18-20-10-12-27-13-11-20/h4-5,8-9,17,19-20,27H,3,6-7,10-16,18H2,1-2H3,(H,28,30,31).
What are the key properties of 16-(piperidin-4-ylmethyl)-20-propan-2-yl-10-oxa-2,16,18,22,23,24-hexazatetracyclo[15.6.1.04,9.019,23]tetracosa-1(24),4,6,8,17,19,21-heptaene?
16-(piperidin-4-ylmethyl)-20-propan-2-yl-10-oxa-2,16,18,22,23,24-hexazatetracyclo[15.6.1.04,9.019,23]tetracosa-1(24),4,6,8,17,19,21-heptaene has a molecular weight of 463.63 g/mol, XLogP of 4.23, 3 rotatable bonds, 2 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for 16-(piperidin-4-ylmethyl)-20-propan-2-yl-10-oxa-2,16,18,22,23,24-hexazatetracyclo[15.6.1.04,9.019,23]tetracosa-1(24),4,6,8,17,19,21-heptaene is sourced from PubChem (CID 177382856), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).