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

C16H22Cl2N4O2 — CID 66658412

IUPAC(2R)-2-[(4-aminopiperidin-1-yl)methyl]-1,4-diazatricyclo[6.3.1.04,12]dodeca-6,8(12),9-triene-5,11-dione;dihydrochloride
SMILESCl.Cl.NC1CCN(C[C@@H]2Cn3c(=O)ccc4ccc(=O)n2c43)CC1
InChIInChI=1S/C16H20N4O2.2ClH/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;2*1H/t13-;;/m1../s1
InChIKeyHGWDDVYEYVFIRQ-FFXKMJQXSA-N
MW373.28 g/mol
LogP0.98
Rot. Bonds2

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

(2R)-2-[(4-aminopiperidin-1-yl)methyl]-1,4-diazatricyclo[6.3.1.04,12]dodeca-6,8(12),9-triene-5,11-dione;dihydrochloride (PubChem CID 66658412) has the molecular formula C16H22Cl2N4O2 and a molecular weight of 373.28 g/mol. Its IUPAC name is (2R)-2-[(4-aminopiperidin-1-yl)methyl]-1,4-diazatricyclo[6.3.1.04,12]dodeca-6,8(12),9-triene-5,11-dione;dihydrochloride.

Molecular Properties

Compound Name(2R)-2-[(4-aminopiperidin-1-yl)methyl]-1,4-diazatricyclo[6.3.1.04,12]dodeca-6,8(12),9-triene-5,11-dione;dihydrochloride
PubChem CID66658412
Molecular FormulaC16H22Cl2N4O2
Molecular Weight373.28 g/mol
Exact Mass372.11
IUPAC Name(2R)-2-[(4-aminopiperidin-1-yl)methyl]-1,4-diazatricyclo[6.3.1.04,12]dodeca-6,8(12),9-triene-5,11-dione;dihydrochloride
SMILESCl.Cl.NC1CCN(C[C@@H]2Cn3c(=O)ccc4ccc(=O)n2c43)CC1
InChIInChI=1S/C16H20N4O2.2ClH/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;2*1H/t13-;;/m1../s1
InChIKeyHGWDDVYEYVFIRQ-FFXKMJQXSA-N
XLogP0.98
TPSA73.26 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds2
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500373.28
LogP ≤ 50.98
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

Analyze (2R)-2-[(4-aminopiperidin-1-yl)methyl]-1,4-diazatricyclo[6.3.1.04,12]dodeca-6,8(12),9-triene-5,11-dione;dihydrochloride with MolForge

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Frequently Asked Questions

What is the IUPAC name of (2R)-2-[(4-aminopiperidin-1-yl)methyl]-1,4-diazatricyclo[6.3.1.04,12]dodeca-6,8(12),9-triene-5,11-dione;dihydrochloride?
The IUPAC name of (2R)-2-[(4-aminopiperidin-1-yl)methyl]-1,4-diazatricyclo[6.3.1.04,12]dodeca-6,8(12),9-triene-5,11-dione;dihydrochloride (CID 66658412) is (2R)-2-[(4-aminopiperidin-1-yl)methyl]-1,4-diazatricyclo[6.3.1.04,12]dodeca-6,8(12),9-triene-5,11-dione;dihydrochloride.
What is the SMILES notation for (2R)-2-[(4-aminopiperidin-1-yl)methyl]-1,4-diazatricyclo[6.3.1.04,12]dodeca-6,8(12),9-triene-5,11-dione;dihydrochloride?
The canonical SMILES for (2R)-2-[(4-aminopiperidin-1-yl)methyl]-1,4-diazatricyclo[6.3.1.04,12]dodeca-6,8(12),9-triene-5,11-dione;dihydrochloride is Cl.Cl.NC1CCN(C[C@@H]2Cn3c(=O)ccc4ccc(=O)n2c43)CC1.
What is the InChIKey of (2R)-2-[(4-aminopiperidin-1-yl)methyl]-1,4-diazatricyclo[6.3.1.04,12]dodeca-6,8(12),9-triene-5,11-dione;dihydrochloride?
The InChIKey is HGWDDVYEYVFIRQ-FFXKMJQXSA-N. The full InChI is InChI=1S/C16H20N4O2.2ClH/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;2*1H/t13-;;/m1../s1.
What are the key properties of (2R)-2-[(4-aminopiperidin-1-yl)methyl]-1,4-diazatricyclo[6.3.1.04,12]dodeca-6,8(12),9-triene-5,11-dione;dihydrochloride?
(2R)-2-[(4-aminopiperidin-1-yl)methyl]-1,4-diazatricyclo[6.3.1.04,12]dodeca-6,8(12),9-triene-5,11-dione;dihydrochloride has a molecular weight of 373.28 g/mol, XLogP of 0.98, 2 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for (2R)-2-[(4-aminopiperidin-1-yl)methyl]-1,4-diazatricyclo[6.3.1.04,12]dodeca-6,8(12),9-triene-5,11-dione;dihydrochloride is sourced from PubChem (CID 66658412), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).