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

C22H23N5O2 — CID 71276920

IUPAC16-[4-cyano-4-(hydroxymethyl)piperidin-1-yl]-1,8-diazatetracyclo[7.7.0.02,7.011,15]hexadeca-2,4,6,8,10,15-hexaene-10-carboxamide
SMILESN#CC1(CO)CCN(c2c3c(c(C(N)=O)c4nc5ccccc5n24)CCC3)CC1
InChIInChI=1S/C22H23N5O2/c23-12-22(13-28)8-10-26(11-9-22)21-15-5-3-4-14(15)18(19(24)29)20-25-16-6-1-2-7-17(16)27(20)21/h1-2,6-7,28H,3-5,8-11,13H2,(H2,24,29)
InChIKeySZXCIEOZWDISKO-UHFFFAOYSA-N
MW389.46 g/mol
LogP2.18
Rot. Bonds3

About 16-[4-cyano-4-(hydroxymethyl)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-cyano-4-(hydroxymethyl)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 71276920) has the molecular formula C22H23N5O2 and a molecular weight of 389.46 g/mol. Its IUPAC name is 16-[4-cyano-4-(hydroxymethyl)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-cyano-4-(hydroxymethyl)piperidin-1-yl]-1,8-diazatetracyclo[7.7.0.02,7.011,15]hexadeca-2,4,6,8,10,15-hexaene-10-carboxamide
PubChem CID71276920
Molecular FormulaC22H23N5O2
Molecular Weight389.46 g/mol
Exact Mass389.19
IUPAC Name16-[4-cyano-4-(hydroxymethyl)piperidin-1-yl]-1,8-diazatetracyclo[7.7.0.02,7.011,15]hexadeca-2,4,6,8,10,15-hexaene-10-carboxamide
SMILESN#CC1(CO)CCN(c2c3c(c(C(N)=O)c4nc5ccccc5n24)CCC3)CC1
InChIInChI=1S/C22H23N5O2/c23-12-22(13-28)8-10-26(11-9-22)21-15-5-3-4-14(15)18(19(24)29)20-25-16-6-1-2-7-17(16)27(20)21/h1-2,6-7,28H,3-5,8-11,13H2,(H2,24,29)
InChIKeySZXCIEOZWDISKO-UHFFFAOYSA-N
XLogP2.18
TPSA107.65 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds3
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500389.46
LogP ≤ 52.18
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

Analyze 16-[4-cyano-4-(hydroxymethyl)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-cyano-4-(hydroxymethyl)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-cyano-4-(hydroxymethyl)piperidin-1-yl]-1,8-diazatetracyclo[7.7.0.02,7.011,15]hexadeca-2,4,6,8,10,15-hexaene-10-carboxamide (CID 71276920) is 16-[4-cyano-4-(hydroxymethyl)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-cyano-4-(hydroxymethyl)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-cyano-4-(hydroxymethyl)piperidin-1-yl]-1,8-diazatetracyclo[7.7.0.02,7.011,15]hexadeca-2,4,6,8,10,15-hexaene-10-carboxamide is N#CC1(CO)CCN(c2c3c(c(C(N)=O)c4nc5ccccc5n24)CCC3)CC1.
What is the InChIKey of 16-[4-cyano-4-(hydroxymethyl)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 SZXCIEOZWDISKO-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H23N5O2/c23-12-22(13-28)8-10-26(11-9-22)21-15-5-3-4-14(15)18(19(24)29)20-25-16-6-1-2-7-17(16)27(20)21/h1-2,6-7,28H,3-5,8-11,13H2,(H2,24,29).
What are the key properties of 16-[4-cyano-4-(hydroxymethyl)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-cyano-4-(hydroxymethyl)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 389.46 g/mol, XLogP of 2.18, 3 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 16-[4-cyano-4-(hydroxymethyl)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 71276920), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).