16-[4-(hydroxymethyl)-4-(methoxymethyl)piperidin-1-yl]-1,8-diazatetracyclo[7.7.0.02,7.011,15]hexadeca-2,4,6,8,10,15-hexaene-10-carboxamide

C23H28N4O3 — CID 71275222

IUPAC16-[4-(hydroxymethyl)-4-(methoxymethyl)piperidin-1-yl]-1,8-diazatetracyclo[7.7.0.02,7.011,15]hexadeca-2,4,6,8,10,15-hexaene-10-carboxamide
SMILESCOCC1(CO)CCN(c2c3c(c(C(N)=O)c4nc5ccccc5n24)CCC3)CC1
InChIInChI=1S/C23H28N4O3/c1-30-14-23(13-28)9-11-26(12-10-23)22-16-6-4-5-15(16)19(20(24)29)21-25-17-7-2-3-8-18(17)27(21)22/h2-3,7-8,28H,4-6,9-14H2,1H3,(H2,24,29)
InChIKeyIBXNKGVSQJRSCG-UHFFFAOYSA-N
MW408.50 g/mol
LogP2.30
Rot. Bonds5

About 16-[4-(hydroxymethyl)-4-(methoxymethyl)piperidin-1-yl]-1,8-diazatetracyclo[7.7.0.02,7.011,15]hexadeca-2,4,6,8,10,15-hexaene-10-carboxamide

16-[4-(hydroxymethyl)-4-(methoxymethyl)piperidin-1-yl]-1,8-diazatetracyclo[7.7.0.02,7.011,15]hexadeca-2,4,6,8,10,15-hexaene-10-carboxamide (PubChem CID 71275222) has the molecular formula C23H28N4O3 and a molecular weight of 408.50 g/mol. Its IUPAC name is 16-[4-(hydroxymethyl)-4-(methoxymethyl)piperidin-1-yl]-1,8-diazatetracyclo[7.7.0.02,7.011,15]hexadeca-2,4,6,8,10,15-hexaene-10-carboxamide.

Molecular Properties

Compound Name16-[4-(hydroxymethyl)-4-(methoxymethyl)piperidin-1-yl]-1,8-diazatetracyclo[7.7.0.02,7.011,15]hexadeca-2,4,6,8,10,15-hexaene-10-carboxamide
PubChem CID71275222
Molecular FormulaC23H28N4O3
Molecular Weight408.50 g/mol
Exact Mass408.22
IUPAC Name16-[4-(hydroxymethyl)-4-(methoxymethyl)piperidin-1-yl]-1,8-diazatetracyclo[7.7.0.02,7.011,15]hexadeca-2,4,6,8,10,15-hexaene-10-carboxamide
SMILESCOCC1(CO)CCN(c2c3c(c(C(N)=O)c4nc5ccccc5n24)CCC3)CC1
InChIInChI=1S/C23H28N4O3/c1-30-14-23(13-28)9-11-26(12-10-23)22-16-6-4-5-15(16)19(20(24)29)21-25-17-7-2-3-8-18(17)27(21)22/h2-3,7-8,28H,4-6,9-14H2,1H3,(H2,24,29)
InChIKeyIBXNKGVSQJRSCG-UHFFFAOYSA-N
XLogP2.30
TPSA93.09 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds5
Heavy Atoms30
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500408.50
LogP ≤ 52.30
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

Analyze 16-[4-(hydroxymethyl)-4-(methoxymethyl)piperidin-1-yl]-1,8-diazatetracyclo[7.7.0.02,7.011,15]hexadeca-2,4,6,8,10,15-hexaene-10-carboxamide with MolForge

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Frequently Asked Questions

What is the IUPAC name of 16-[4-(hydroxymethyl)-4-(methoxymethyl)piperidin-1-yl]-1,8-diazatetracyclo[7.7.0.02,7.011,15]hexadeca-2,4,6,8,10,15-hexaene-10-carboxamide?
The IUPAC name of 16-[4-(hydroxymethyl)-4-(methoxymethyl)piperidin-1-yl]-1,8-diazatetracyclo[7.7.0.02,7.011,15]hexadeca-2,4,6,8,10,15-hexaene-10-carboxamide (CID 71275222) is 16-[4-(hydroxymethyl)-4-(methoxymethyl)piperidin-1-yl]-1,8-diazatetracyclo[7.7.0.02,7.011,15]hexadeca-2,4,6,8,10,15-hexaene-10-carboxamide.
What is the SMILES notation for 16-[4-(hydroxymethyl)-4-(methoxymethyl)piperidin-1-yl]-1,8-diazatetracyclo[7.7.0.02,7.011,15]hexadeca-2,4,6,8,10,15-hexaene-10-carboxamide?
The canonical SMILES for 16-[4-(hydroxymethyl)-4-(methoxymethyl)piperidin-1-yl]-1,8-diazatetracyclo[7.7.0.02,7.011,15]hexadeca-2,4,6,8,10,15-hexaene-10-carboxamide is COCC1(CO)CCN(c2c3c(c(C(N)=O)c4nc5ccccc5n24)CCC3)CC1.
What is the InChIKey of 16-[4-(hydroxymethyl)-4-(methoxymethyl)piperidin-1-yl]-1,8-diazatetracyclo[7.7.0.02,7.011,15]hexadeca-2,4,6,8,10,15-hexaene-10-carboxamide?
The InChIKey is IBXNKGVSQJRSCG-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H28N4O3/c1-30-14-23(13-28)9-11-26(12-10-23)22-16-6-4-5-15(16)19(20(24)29)21-25-17-7-2-3-8-18(17)27(21)22/h2-3,7-8,28H,4-6,9-14H2,1H3,(H2,24,29).
What are the key properties of 16-[4-(hydroxymethyl)-4-(methoxymethyl)piperidin-1-yl]-1,8-diazatetracyclo[7.7.0.02,7.011,15]hexadeca-2,4,6,8,10,15-hexaene-10-carboxamide?
16-[4-(hydroxymethyl)-4-(methoxymethyl)piperidin-1-yl]-1,8-diazatetracyclo[7.7.0.02,7.011,15]hexadeca-2,4,6,8,10,15-hexaene-10-carboxamide has a molecular weight of 408.50 g/mol, XLogP of 2.30, 5 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 16-[4-(hydroxymethyl)-4-(methoxymethyl)piperidin-1-yl]-1,8-diazatetracyclo[7.7.0.02,7.011,15]hexadeca-2,4,6,8,10,15-hexaene-10-carboxamide is sourced from PubChem (CID 71275222), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).