6-(piperidin-4-ylmethyl)-2,6,12-triazatricyclo[6.3.1.04,12]dodeca-1(11),9-dien-5-one

C15H22N4O — CID 140983547

IUPAC6-(piperidin-4-ylmethyl)-2,6,12-triazatricyclo[6.3.1.04,12]dodeca-1(11),9-dien-5-one
SMILESO=C1C2CNC3=CC=CC(CN1CC1CCNCC1)N32
InChIInChI=1S/C15H22N4O/c20-15-13-8-17-14-3-1-2-12(19(13)14)10-18(15)9-11-4-6-16-7-5-11/h1-3,11-13,16-17H,4-10H2
InChIKeyLHCHRLDHQDRZHX-UHFFFAOYSA-N
MW274.37 g/mol
LogP-0.12
Rot. Bonds2

About 6-(piperidin-4-ylmethyl)-2,6,12-triazatricyclo[6.3.1.04,12]dodeca-1(11),9-dien-5-one

6-(piperidin-4-ylmethyl)-2,6,12-triazatricyclo[6.3.1.04,12]dodeca-1(11),9-dien-5-one (PubChem CID 140983547) has the molecular formula C15H22N4O and a molecular weight of 274.37 g/mol. Its IUPAC name is 6-(piperidin-4-ylmethyl)-2,6,12-triazatricyclo[6.3.1.04,12]dodeca-1(11),9-dien-5-one.

Molecular Properties

Compound Name6-(piperidin-4-ylmethyl)-2,6,12-triazatricyclo[6.3.1.04,12]dodeca-1(11),9-dien-5-one
PubChem CID140983547
Molecular FormulaC15H22N4O
Molecular Weight274.37 g/mol
Exact Mass274.18
IUPAC Name6-(piperidin-4-ylmethyl)-2,6,12-triazatricyclo[6.3.1.04,12]dodeca-1(11),9-dien-5-one
SMILESO=C1C2CNC3=CC=CC(CN1CC1CCNCC1)N32
InChIInChI=1S/C15H22N4O/c20-15-13-8-17-14-3-1-2-12(19(13)14)10-18(15)9-11-4-6-16-7-5-11/h1-3,11-13,16-17H,4-10H2
InChIKeyLHCHRLDHQDRZHX-UHFFFAOYSA-N
XLogP-0.12
TPSA47.61 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500274.37
LogP ≤ 5-0.12
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 6-(piperidin-4-ylmethyl)-2,6,12-triazatricyclo[6.3.1.04,12]dodeca-1(11),9-dien-5-one?
The IUPAC name of 6-(piperidin-4-ylmethyl)-2,6,12-triazatricyclo[6.3.1.04,12]dodeca-1(11),9-dien-5-one (CID 140983547) is 6-(piperidin-4-ylmethyl)-2,6,12-triazatricyclo[6.3.1.04,12]dodeca-1(11),9-dien-5-one.
What is the SMILES notation for 6-(piperidin-4-ylmethyl)-2,6,12-triazatricyclo[6.3.1.04,12]dodeca-1(11),9-dien-5-one?
The canonical SMILES for 6-(piperidin-4-ylmethyl)-2,6,12-triazatricyclo[6.3.1.04,12]dodeca-1(11),9-dien-5-one is O=C1C2CNC3=CC=CC(CN1CC1CCNCC1)N32.
What is the InChIKey of 6-(piperidin-4-ylmethyl)-2,6,12-triazatricyclo[6.3.1.04,12]dodeca-1(11),9-dien-5-one?
The InChIKey is LHCHRLDHQDRZHX-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H22N4O/c20-15-13-8-17-14-3-1-2-12(19(13)14)10-18(15)9-11-4-6-16-7-5-11/h1-3,11-13,16-17H,4-10H2.
What are the key properties of 6-(piperidin-4-ylmethyl)-2,6,12-triazatricyclo[6.3.1.04,12]dodeca-1(11),9-dien-5-one?
6-(piperidin-4-ylmethyl)-2,6,12-triazatricyclo[6.3.1.04,12]dodeca-1(11),9-dien-5-one has a molecular weight of 274.37 g/mol, XLogP of -0.12, 2 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 6-(piperidin-4-ylmethyl)-2,6,12-triazatricyclo[6.3.1.04,12]dodeca-1(11),9-dien-5-one is sourced from PubChem (CID 140983547), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).