1-[3-[[[1-(6,7-dihydro-5H-cyclopenta[c]pyridazin-3-yl)azetidin-3-yl]methylamino]methyl]-3-hydroxypiperidin-1-yl]ethanone

C19H29N5O2 — CID 126918712

IUPAC1-[3-[[[1-(6,7-dihydro-5H-cyclopenta[c]pyridazin-3-yl)azetidin-3-yl]methylamino]methyl]-3-hydroxypiperidin-1-yl]ethanone
SMILESCC(=O)N1CCCC(O)(CNCC2CN(c3cc4c(nn3)CCC4)C2)C1
InChIInChI=1S/C19H29N5O2/c1-14(25)23-7-3-6-19(26,13-23)12-20-9-15-10-24(11-15)18-8-16-4-2-5-17(16)21-22-18/h8,15,20,26H,2-7,9-13H2,1H3
InChIKeyYENJNKYPMOXICB-UHFFFAOYSA-N
MW359.47 g/mol
LogP0.36
Rot. Bonds5

About 1-[3-[[[1-(6,7-dihydro-5H-cyclopenta[c]pyridazin-3-yl)azetidin-3-yl]methylamino]methyl]-3-hydroxypiperidin-1-yl]ethanone

1-[3-[[[1-(6,7-dihydro-5H-cyclopenta[c]pyridazin-3-yl)azetidin-3-yl]methylamino]methyl]-3-hydroxypiperidin-1-yl]ethanone (PubChem CID 126918712) has the molecular formula C19H29N5O2 and a molecular weight of 359.47 g/mol. Its IUPAC name is 1-[3-[[[1-(6,7-dihydro-5H-cyclopenta[c]pyridazin-3-yl)azetidin-3-yl]methylamino]methyl]-3-hydroxypiperidin-1-yl]ethanone.

Molecular Properties

Compound Name1-[3-[[[1-(6,7-dihydro-5H-cyclopenta[c]pyridazin-3-yl)azetidin-3-yl]methylamino]methyl]-3-hydroxypiperidin-1-yl]ethanone
PubChem CID126918712
Molecular FormulaC19H29N5O2
Molecular Weight359.47 g/mol
Exact Mass359.23
IUPAC Name1-[3-[[[1-(6,7-dihydro-5H-cyclopenta[c]pyridazin-3-yl)azetidin-3-yl]methylamino]methyl]-3-hydroxypiperidin-1-yl]ethanone
SMILESCC(=O)N1CCCC(O)(CNCC2CN(c3cc4c(nn3)CCC4)C2)C1
InChIInChI=1S/C19H29N5O2/c1-14(25)23-7-3-6-19(26,13-23)12-20-9-15-10-24(11-15)18-8-16-4-2-5-17(16)21-22-18/h8,15,20,26H,2-7,9-13H2,1H3
InChIKeyYENJNKYPMOXICB-UHFFFAOYSA-N
XLogP0.36
TPSA81.59 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds5
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500359.47
LogP ≤ 50.36
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of 1-[3-[[[1-(6,7-dihydro-5H-cyclopenta[c]pyridazin-3-yl)azetidin-3-yl]methylamino]methyl]-3-hydroxypiperidin-1-yl]ethanone?
The IUPAC name of 1-[3-[[[1-(6,7-dihydro-5H-cyclopenta[c]pyridazin-3-yl)azetidin-3-yl]methylamino]methyl]-3-hydroxypiperidin-1-yl]ethanone (CID 126918712) is 1-[3-[[[1-(6,7-dihydro-5H-cyclopenta[c]pyridazin-3-yl)azetidin-3-yl]methylamino]methyl]-3-hydroxypiperidin-1-yl]ethanone.
What is the SMILES notation for 1-[3-[[[1-(6,7-dihydro-5H-cyclopenta[c]pyridazin-3-yl)azetidin-3-yl]methylamino]methyl]-3-hydroxypiperidin-1-yl]ethanone?
The canonical SMILES for 1-[3-[[[1-(6,7-dihydro-5H-cyclopenta[c]pyridazin-3-yl)azetidin-3-yl]methylamino]methyl]-3-hydroxypiperidin-1-yl]ethanone is CC(=O)N1CCCC(O)(CNCC2CN(c3cc4c(nn3)CCC4)C2)C1.
What is the InChIKey of 1-[3-[[[1-(6,7-dihydro-5H-cyclopenta[c]pyridazin-3-yl)azetidin-3-yl]methylamino]methyl]-3-hydroxypiperidin-1-yl]ethanone?
The InChIKey is YENJNKYPMOXICB-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H29N5O2/c1-14(25)23-7-3-6-19(26,13-23)12-20-9-15-10-24(11-15)18-8-16-4-2-5-17(16)21-22-18/h8,15,20,26H,2-7,9-13H2,1H3.
What are the key properties of 1-[3-[[[1-(6,7-dihydro-5H-cyclopenta[c]pyridazin-3-yl)azetidin-3-yl]methylamino]methyl]-3-hydroxypiperidin-1-yl]ethanone?
1-[3-[[[1-(6,7-dihydro-5H-cyclopenta[c]pyridazin-3-yl)azetidin-3-yl]methylamino]methyl]-3-hydroxypiperidin-1-yl]ethanone has a molecular weight of 359.47 g/mol, XLogP of 0.36, 5 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[3-[[[1-(6,7-dihydro-5H-cyclopenta[c]pyridazin-3-yl)azetidin-3-yl]methylamino]methyl]-3-hydroxypiperidin-1-yl]ethanone is sourced from PubChem (CID 126918712), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).