4-[(3-hydroxypiperidin-1-yl)methyl]-8-oxa-15,16-diazatetracyclo[7.7.1.02,7.013,17]heptadeca-1(16),2(7),3,5,9,11,13(17)-heptaen-14-one

C20H19N3O3 — CID 11523134

IUPAC4-[(3-hydroxypiperidin-1-yl)methyl]-8-oxa-15,16-diazatetracyclo[7.7.1.02,7.013,17]heptadeca-1(16),2(7),3,5,9,11,13(17)-heptaen-14-one
SMILESO=c1[nH]nc2c3c(cccc13)Oc1ccc(CN3CCCC(O)C3)cc1-2
InChIInChI=1S/C20H19N3O3/c24-13-3-2-8-23(11-13)10-12-6-7-16-15(9-12)19-18-14(20(25)22-21-19)4-1-5-17(18)26-16/h1,4-7,9,13,24H,2-3,8,10-11H2,(H,22,25)
InChIKeyZZJQLCHHNATGMJ-UHFFFAOYSA-N
MW349.39 g/mol
LogP2.65
Rot. Bonds2

About 4-[(3-hydroxypiperidin-1-yl)methyl]-8-oxa-15,16-diazatetracyclo[7.7.1.02,7.013,17]heptadeca-1(16),2(7),3,5,9,11,13(17)-heptaen-14-one

4-[(3-hydroxypiperidin-1-yl)methyl]-8-oxa-15,16-diazatetracyclo[7.7.1.02,7.013,17]heptadeca-1(16),2(7),3,5,9,11,13(17)-heptaen-14-one (PubChem CID 11523134) has the molecular formula C20H19N3O3 and a molecular weight of 349.39 g/mol. Its IUPAC name is 4-[(3-hydroxypiperidin-1-yl)methyl]-8-oxa-15,16-diazatetracyclo[7.7.1.02,7.013,17]heptadeca-1(16),2(7),3,5,9,11,13(17)-heptaen-14-one.

Molecular Properties

Compound Name4-[(3-hydroxypiperidin-1-yl)methyl]-8-oxa-15,16-diazatetracyclo[7.7.1.02,7.013,17]heptadeca-1(16),2(7),3,5,9,11,13(17)-heptaen-14-one
PubChem CID11523134
Molecular FormulaC20H19N3O3
Molecular Weight349.39 g/mol
Exact Mass349.14
IUPAC Name4-[(3-hydroxypiperidin-1-yl)methyl]-8-oxa-15,16-diazatetracyclo[7.7.1.02,7.013,17]heptadeca-1(16),2(7),3,5,9,11,13(17)-heptaen-14-one
SMILESO=c1[nH]nc2c3c(cccc13)Oc1ccc(CN3CCCC(O)C3)cc1-2
InChIInChI=1S/C20H19N3O3/c24-13-3-2-8-23(11-13)10-12-6-7-16-15(9-12)19-18-14(20(25)22-21-19)4-1-5-17(18)26-16/h1,4-7,9,13,24H,2-3,8,10-11H2,(H,22,25)
InChIKeyZZJQLCHHNATGMJ-UHFFFAOYSA-N
XLogP2.65
TPSA78.45 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds2
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500349.39
LogP ≤ 52.65
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

Analyze 4-[(3-hydroxypiperidin-1-yl)methyl]-8-oxa-15,16-diazatetracyclo[7.7.1.02,7.013,17]heptadeca-1(16),2(7),3,5,9,11,13(17)-heptaen-14-one 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 4-[(3-hydroxypiperidin-1-yl)methyl]-8-oxa-15,16-diazatetracyclo[7.7.1.02,7.013,17]heptadeca-1(16),2(7),3,5,9,11,13(17)-heptaen-14-one?
The IUPAC name of 4-[(3-hydroxypiperidin-1-yl)methyl]-8-oxa-15,16-diazatetracyclo[7.7.1.02,7.013,17]heptadeca-1(16),2(7),3,5,9,11,13(17)-heptaen-14-one (CID 11523134) is 4-[(3-hydroxypiperidin-1-yl)methyl]-8-oxa-15,16-diazatetracyclo[7.7.1.02,7.013,17]heptadeca-1(16),2(7),3,5,9,11,13(17)-heptaen-14-one.
What is the SMILES notation for 4-[(3-hydroxypiperidin-1-yl)methyl]-8-oxa-15,16-diazatetracyclo[7.7.1.02,7.013,17]heptadeca-1(16),2(7),3,5,9,11,13(17)-heptaen-14-one?
The canonical SMILES for 4-[(3-hydroxypiperidin-1-yl)methyl]-8-oxa-15,16-diazatetracyclo[7.7.1.02,7.013,17]heptadeca-1(16),2(7),3,5,9,11,13(17)-heptaen-14-one is O=c1[nH]nc2c3c(cccc13)Oc1ccc(CN3CCCC(O)C3)cc1-2.
What is the InChIKey of 4-[(3-hydroxypiperidin-1-yl)methyl]-8-oxa-15,16-diazatetracyclo[7.7.1.02,7.013,17]heptadeca-1(16),2(7),3,5,9,11,13(17)-heptaen-14-one?
The InChIKey is ZZJQLCHHNATGMJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H19N3O3/c24-13-3-2-8-23(11-13)10-12-6-7-16-15(9-12)19-18-14(20(25)22-21-19)4-1-5-17(18)26-16/h1,4-7,9,13,24H,2-3,8,10-11H2,(H,22,25).
What are the key properties of 4-[(3-hydroxypiperidin-1-yl)methyl]-8-oxa-15,16-diazatetracyclo[7.7.1.02,7.013,17]heptadeca-1(16),2(7),3,5,9,11,13(17)-heptaen-14-one?
4-[(3-hydroxypiperidin-1-yl)methyl]-8-oxa-15,16-diazatetracyclo[7.7.1.02,7.013,17]heptadeca-1(16),2(7),3,5,9,11,13(17)-heptaen-14-one has a molecular weight of 349.39 g/mol, XLogP of 2.65, 2 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[(3-hydroxypiperidin-1-yl)methyl]-8-oxa-15,16-diazatetracyclo[7.7.1.02,7.013,17]heptadeca-1(16),2(7),3,5,9,11,13(17)-heptaen-14-one is sourced from PubChem (CID 11523134), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).