2-[(4-aminopiperidin-1-yl)methyl]-1,4-diazatricyclo[6.3.1.04,12]dodeca-6,8(12),9-triene-5,11-dione

C16H20N4O2 — CID 58001722

IUPAC2-[(4-aminopiperidin-1-yl)methyl]-1,4-diazatricyclo[6.3.1.04,12]dodeca-6,8(12),9-triene-5,11-dione
SMILESNC1CCN(CC2Cn3c(=O)ccc4ccc(=O)n2c43)CC1
InChIInChI=1S/C16H20N4O2/c17-12-5-7-18(8-6-12)9-13-10-19-14(21)3-1-11-2-4-15(22)20(13)16(11)19/h1-4,12-13H,5-10,17H2
InChIKeyAOHYZYSEEAVJHF-UHFFFAOYSA-N
MW300.36 g/mol
LogP0.14
Rot. Bonds2

About 2-[(4-aminopiperidin-1-yl)methyl]-1,4-diazatricyclo[6.3.1.04,12]dodeca-6,8(12),9-triene-5,11-dione

2-[(4-aminopiperidin-1-yl)methyl]-1,4-diazatricyclo[6.3.1.04,12]dodeca-6,8(12),9-triene-5,11-dione (PubChem CID 58001722) has the molecular formula C16H20N4O2 and a molecular weight of 300.36 g/mol. Its IUPAC name is 2-[(4-aminopiperidin-1-yl)methyl]-1,4-diazatricyclo[6.3.1.04,12]dodeca-6,8(12),9-triene-5,11-dione.

Molecular Properties

Compound Name2-[(4-aminopiperidin-1-yl)methyl]-1,4-diazatricyclo[6.3.1.04,12]dodeca-6,8(12),9-triene-5,11-dione
PubChem CID58001722
Molecular FormulaC16H20N4O2
Molecular Weight300.36 g/mol
Exact Mass300.16
IUPAC Name2-[(4-aminopiperidin-1-yl)methyl]-1,4-diazatricyclo[6.3.1.04,12]dodeca-6,8(12),9-triene-5,11-dione
SMILESNC1CCN(CC2Cn3c(=O)ccc4ccc(=O)n2c43)CC1
InChIInChI=1S/C16H20N4O2/c17-12-5-7-18(8-6-12)9-13-10-19-14(21)3-1-11-2-4-15(22)20(13)16(11)19/h1-4,12-13H,5-10,17H2
InChIKeyAOHYZYSEEAVJHF-UHFFFAOYSA-N
XLogP0.14
TPSA73.26 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds2
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500300.36
LogP ≤ 50.14
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of 2-[(4-aminopiperidin-1-yl)methyl]-1,4-diazatricyclo[6.3.1.04,12]dodeca-6,8(12),9-triene-5,11-dione?
The IUPAC name of 2-[(4-aminopiperidin-1-yl)methyl]-1,4-diazatricyclo[6.3.1.04,12]dodeca-6,8(12),9-triene-5,11-dione (CID 58001722) is 2-[(4-aminopiperidin-1-yl)methyl]-1,4-diazatricyclo[6.3.1.04,12]dodeca-6,8(12),9-triene-5,11-dione.
What is the SMILES notation for 2-[(4-aminopiperidin-1-yl)methyl]-1,4-diazatricyclo[6.3.1.04,12]dodeca-6,8(12),9-triene-5,11-dione?
The canonical SMILES for 2-[(4-aminopiperidin-1-yl)methyl]-1,4-diazatricyclo[6.3.1.04,12]dodeca-6,8(12),9-triene-5,11-dione is NC1CCN(CC2Cn3c(=O)ccc4ccc(=O)n2c43)CC1.
What is the InChIKey of 2-[(4-aminopiperidin-1-yl)methyl]-1,4-diazatricyclo[6.3.1.04,12]dodeca-6,8(12),9-triene-5,11-dione?
The InChIKey is AOHYZYSEEAVJHF-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H20N4O2/c17-12-5-7-18(8-6-12)9-13-10-19-14(21)3-1-11-2-4-15(22)20(13)16(11)19/h1-4,12-13H,5-10,17H2.
What are the key properties of 2-[(4-aminopiperidin-1-yl)methyl]-1,4-diazatricyclo[6.3.1.04,12]dodeca-6,8(12),9-triene-5,11-dione?
2-[(4-aminopiperidin-1-yl)methyl]-1,4-diazatricyclo[6.3.1.04,12]dodeca-6,8(12),9-triene-5,11-dione has a molecular weight of 300.36 g/mol, XLogP of 0.14, 2 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[(4-aminopiperidin-1-yl)methyl]-1,4-diazatricyclo[6.3.1.04,12]dodeca-6,8(12),9-triene-5,11-dione is sourced from PubChem (CID 58001722), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).