4-(11-piperidin-4-yl-1,7,10-triazatricyclo[7.3.0.02,6]dodeca-2(6),3,7,9,11-pentaen-3-yl)pentan-2-one

C19H24N4O — CID 167588651

IUPAC4-(11-piperidin-4-yl-1,7,10-triazatricyclo[7.3.0.02,6]dodeca-2(6),3,7,9,11-pentaen-3-yl)pentan-2-one
SMILESCC(=O)CC(C)C1=CCc2ncc3nc(C4CCNCC4)cn3c21
InChIInChI=1S/C19H24N4O/c1-12(9-13(2)24)15-3-4-16-19(15)23-11-17(22-18(23)10-21-16)14-5-7-20-8-6-14/h3,10-12,14,20H,4-9H2,1-2H3
InChIKeySYNHLIMIJHGTKA-UHFFFAOYSA-N
MW324.43 g/mol
LogP2.75
Rot. Bonds4

About 4-(11-piperidin-4-yl-1,7,10-triazatricyclo[7.3.0.02,6]dodeca-2(6),3,7,9,11-pentaen-3-yl)pentan-2-one

4-(11-piperidin-4-yl-1,7,10-triazatricyclo[7.3.0.02,6]dodeca-2(6),3,7,9,11-pentaen-3-yl)pentan-2-one (PubChem CID 167588651) has the molecular formula C19H24N4O and a molecular weight of 324.43 g/mol. Its IUPAC name is 4-(11-piperidin-4-yl-1,7,10-triazatricyclo[7.3.0.02,6]dodeca-2(6),3,7,9,11-pentaen-3-yl)pentan-2-one.

Molecular Properties

Compound Name4-(11-piperidin-4-yl-1,7,10-triazatricyclo[7.3.0.02,6]dodeca-2(6),3,7,9,11-pentaen-3-yl)pentan-2-one
PubChem CID167588651
Molecular FormulaC19H24N4O
Molecular Weight324.43 g/mol
Exact Mass324.20
IUPAC Name4-(11-piperidin-4-yl-1,7,10-triazatricyclo[7.3.0.02,6]dodeca-2(6),3,7,9,11-pentaen-3-yl)pentan-2-one
SMILESCC(=O)CC(C)C1=CCc2ncc3nc(C4CCNCC4)cn3c21
InChIInChI=1S/C19H24N4O/c1-12(9-13(2)24)15-3-4-16-19(15)23-11-17(22-18(23)10-21-16)14-5-7-20-8-6-14/h3,10-12,14,20H,4-9H2,1-2H3
InChIKeySYNHLIMIJHGTKA-UHFFFAOYSA-N
XLogP2.75
TPSA59.29 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500324.43
LogP ≤ 52.75
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Analyze 4-(11-piperidin-4-yl-1,7,10-triazatricyclo[7.3.0.02,6]dodeca-2(6),3,7,9,11-pentaen-3-yl)pentan-2-one with MolForge

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Launch Full Analysis

Related Compounds

11-[(2R,4R)-2-methylpiperidin-4-yl]-3-(oxan-4-yl)-1,7,10-triazatricyclo[7.3.0.02,6]dodeca-2(6),3,7,9,11-pentaene
CID 167533915
11-[(2S,4S)-2-methylpiperidin-4-yl]-3-(oxan-4-yl)-1,7,10-triazatricyclo[7.3.0.02,6]dodeca-2(6),3,7,9,11-pentaene
CID 167533918
tert-butyl 4-[3-(4-methoxycarbonylcyclohexyl)-1,7,10-triazatricyclo[7.3.0.02,6]dodeca-2(6),3,7,9,11-pentaen-11-yl]piperidine-1-carboxylate
CID 167549629
2-[5-butan-2-yl-1-[(Z)-2,3-dimethylpent-1-enyl]-6-methylidene-3-pyridinyl]-7-piperidin-4-ylpyrazino[1,2-a]pyrimidin-4-one
CID 142511095
3-ethyl-2-(2-methylimidazo[1,2-b]pyridazin-6-yl)-7-piperidin-4-ylpyrazino[1,2-a]pyrimidin-4-one
CID 137373916
3-piperidin-4-yl-6,7-dihydro-5H-cyclopenta[b]pyrazine
CID 83832289
1-piperidin-1-yl-3-(6-piperidin-4-yl-2-pyridinyl)propan-1-one
CID 95826603
6-ethyl-2-piperidin-4-ylimidazo[1,2-a]pyrimidine
CID 105488507
N-[1-(1-methylpyrazol-4-yl)piperidin-3-yl]-3-piperidin-4-ylbutanamide
CID 119889326
1-piperidin-1-yl-3-(6-piperidin-4-yl-2-pyridinyl)propan-1-one;hydrochloride
CID 118741827
2-[(2Z)-2-amino-2-hydrazinylideneethyl]-4-methylpentanoic acid;5-methyl-2-piperidin-4-ylpyridine
CID 144957423
3-[[2-(difluoromethoxy)phenyl]methyl]-2-methyl-6-piperidin-4-ylimidazo[1,2-a]pyrazine;hydrochloride
CID 118207230

Frequently Asked Questions

What is the IUPAC name of 4-(11-piperidin-4-yl-1,7,10-triazatricyclo[7.3.0.02,6]dodeca-2(6),3,7,9,11-pentaen-3-yl)pentan-2-one?
The IUPAC name of 4-(11-piperidin-4-yl-1,7,10-triazatricyclo[7.3.0.02,6]dodeca-2(6),3,7,9,11-pentaen-3-yl)pentan-2-one (CID 167588651) is 4-(11-piperidin-4-yl-1,7,10-triazatricyclo[7.3.0.02,6]dodeca-2(6),3,7,9,11-pentaen-3-yl)pentan-2-one.
What is the SMILES notation for 4-(11-piperidin-4-yl-1,7,10-triazatricyclo[7.3.0.02,6]dodeca-2(6),3,7,9,11-pentaen-3-yl)pentan-2-one?
The canonical SMILES for 4-(11-piperidin-4-yl-1,7,10-triazatricyclo[7.3.0.02,6]dodeca-2(6),3,7,9,11-pentaen-3-yl)pentan-2-one is CC(=O)CC(C)C1=CCc2ncc3nc(C4CCNCC4)cn3c21.
What is the InChIKey of 4-(11-piperidin-4-yl-1,7,10-triazatricyclo[7.3.0.02,6]dodeca-2(6),3,7,9,11-pentaen-3-yl)pentan-2-one?
The InChIKey is SYNHLIMIJHGTKA-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H24N4O/c1-12(9-13(2)24)15-3-4-16-19(15)23-11-17(22-18(23)10-21-16)14-5-7-20-8-6-14/h3,10-12,14,20H,4-9H2,1-2H3.
What are the key properties of 4-(11-piperidin-4-yl-1,7,10-triazatricyclo[7.3.0.02,6]dodeca-2(6),3,7,9,11-pentaen-3-yl)pentan-2-one?
4-(11-piperidin-4-yl-1,7,10-triazatricyclo[7.3.0.02,6]dodeca-2(6),3,7,9,11-pentaen-3-yl)pentan-2-one has a molecular weight of 324.43 g/mol, XLogP of 2.75, 4 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(11-piperidin-4-yl-1,7,10-triazatricyclo[7.3.0.02,6]dodeca-2(6),3,7,9,11-pentaen-3-yl)pentan-2-one is sourced from PubChem (CID 167588651), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).