10-[(4-aminopiperidin-1-yl)methyl]-1,4,9-triazatricyclo[7.3.1.05,13]trideca-5(13),6-diene-2,8-dione

C16H23N5O2 — CID 66839853

IUPAC10-[(4-aminopiperidin-1-yl)methyl]-1,4,9-triazatricyclo[7.3.1.05,13]trideca-5(13),6-diene-2,8-dione
SMILESNC1CCN(CC2CCN3C(=O)CNc4ccc(=O)n2c43)CC1
InChIInChI=1S/C16H23N5O2/c17-11-3-6-19(7-4-11)10-12-5-8-20-15(23)9-18-13-1-2-14(22)21(12)16(13)20/h1-2,11-12,18H,3-10,17H2
InChIKeyQEZRWURGRDEGRR-UHFFFAOYSA-N
MW317.39 g/mol
LogP-0.03
Rot. Bonds2

About 10-[(4-aminopiperidin-1-yl)methyl]-1,4,9-triazatricyclo[7.3.1.05,13]trideca-5(13),6-diene-2,8-dione

10-[(4-aminopiperidin-1-yl)methyl]-1,4,9-triazatricyclo[7.3.1.05,13]trideca-5(13),6-diene-2,8-dione (PubChem CID 66839853) has the molecular formula C16H23N5O2 and a molecular weight of 317.39 g/mol. Its IUPAC name is 10-[(4-aminopiperidin-1-yl)methyl]-1,4,9-triazatricyclo[7.3.1.05,13]trideca-5(13),6-diene-2,8-dione.

Molecular Properties

Compound Name10-[(4-aminopiperidin-1-yl)methyl]-1,4,9-triazatricyclo[7.3.1.05,13]trideca-5(13),6-diene-2,8-dione
PubChem CID66839853
Molecular FormulaC16H23N5O2
Molecular Weight317.39 g/mol
Exact Mass317.19
IUPAC Name10-[(4-aminopiperidin-1-yl)methyl]-1,4,9-triazatricyclo[7.3.1.05,13]trideca-5(13),6-diene-2,8-dione
SMILESNC1CCN(CC2CCN3C(=O)CNc4ccc(=O)n2c43)CC1
InChIInChI=1S/C16H23N5O2/c17-11-3-6-19(7-4-11)10-12-5-8-20-15(23)9-18-13-1-2-14(22)21(12)16(13)20/h1-2,11-12,18H,3-10,17H2
InChIKeyQEZRWURGRDEGRR-UHFFFAOYSA-N
XLogP-0.03
TPSA83.60 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds2
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500317.39
LogP ≤ 5-0.03
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of 10-[(4-aminopiperidin-1-yl)methyl]-1,4,9-triazatricyclo[7.3.1.05,13]trideca-5(13),6-diene-2,8-dione?
The IUPAC name of 10-[(4-aminopiperidin-1-yl)methyl]-1,4,9-triazatricyclo[7.3.1.05,13]trideca-5(13),6-diene-2,8-dione (CID 66839853) is 10-[(4-aminopiperidin-1-yl)methyl]-1,4,9-triazatricyclo[7.3.1.05,13]trideca-5(13),6-diene-2,8-dione.
What is the SMILES notation for 10-[(4-aminopiperidin-1-yl)methyl]-1,4,9-triazatricyclo[7.3.1.05,13]trideca-5(13),6-diene-2,8-dione?
The canonical SMILES for 10-[(4-aminopiperidin-1-yl)methyl]-1,4,9-triazatricyclo[7.3.1.05,13]trideca-5(13),6-diene-2,8-dione is NC1CCN(CC2CCN3C(=O)CNc4ccc(=O)n2c43)CC1.
What is the InChIKey of 10-[(4-aminopiperidin-1-yl)methyl]-1,4,9-triazatricyclo[7.3.1.05,13]trideca-5(13),6-diene-2,8-dione?
The InChIKey is QEZRWURGRDEGRR-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H23N5O2/c17-11-3-6-19(7-4-11)10-12-5-8-20-15(23)9-18-13-1-2-14(22)21(12)16(13)20/h1-2,11-12,18H,3-10,17H2.
What are the key properties of 10-[(4-aminopiperidin-1-yl)methyl]-1,4,9-triazatricyclo[7.3.1.05,13]trideca-5(13),6-diene-2,8-dione?
10-[(4-aminopiperidin-1-yl)methyl]-1,4,9-triazatricyclo[7.3.1.05,13]trideca-5(13),6-diene-2,8-dione has a molecular weight of 317.39 g/mol, XLogP of -0.03, 2 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 10-[(4-aminopiperidin-1-yl)methyl]-1,4,9-triazatricyclo[7.3.1.05,13]trideca-5(13),6-diene-2,8-dione is sourced from PubChem (CID 66839853), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).