cyclopropyl-[4-[[6-(1H-pyrazol-5-yl)-3-pyridinyl]oxymethyl]piperidin-1-yl]methanone

C18H22N4O2 — CID 155790650

IUPACcyclopropyl-[4-[[6-(1H-pyrazol-5-yl)-3-pyridinyl]oxymethyl]piperidin-1-yl]methanone
SMILESO=C(C1CC1)N1CCC(COc2ccc(-c3ccn[nH]3)nc2)CC1
InChIInChI=1S/C18H22N4O2/c23-18(14-1-2-14)22-9-6-13(7-10-22)12-24-15-3-4-16(19-11-15)17-5-8-20-21-17/h3-5,8,11,13-14H,1-2,6-7,9-10,12H2,(H,20,21)
InChIKeyHNIIYJYUNDTORU-UHFFFAOYSA-N
MW326.40 g/mol
LogP2.50
Rot. Bonds5

About cyclopropyl-[4-[[6-(1H-pyrazol-5-yl)-3-pyridinyl]oxymethyl]piperidin-1-yl]methanone

cyclopropyl-[4-[[6-(1H-pyrazol-5-yl)-3-pyridinyl]oxymethyl]piperidin-1-yl]methanone (PubChem CID 155790650) has the molecular formula C18H22N4O2 and a molecular weight of 326.40 g/mol. Its IUPAC name is cyclopropyl-[4-[[6-(1H-pyrazol-5-yl)-3-pyridinyl]oxymethyl]piperidin-1-yl]methanone.

Molecular Properties

Compound Namecyclopropyl-[4-[[6-(1H-pyrazol-5-yl)-3-pyridinyl]oxymethyl]piperidin-1-yl]methanone
PubChem CID155790650
Molecular FormulaC18H22N4O2
Molecular Weight326.40 g/mol
Exact Mass326.17
IUPAC Namecyclopropyl-[4-[[6-(1H-pyrazol-5-yl)-3-pyridinyl]oxymethyl]piperidin-1-yl]methanone
SMILESO=C(C1CC1)N1CCC(COc2ccc(-c3ccn[nH]3)nc2)CC1
InChIInChI=1S/C18H22N4O2/c23-18(14-1-2-14)22-9-6-13(7-10-22)12-24-15-3-4-16(19-11-15)17-5-8-20-21-17/h3-5,8,11,13-14H,1-2,6-7,9-10,12H2,(H,20,21)
InChIKeyHNIIYJYUNDTORU-UHFFFAOYSA-N
XLogP2.50
TPSA71.11 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500326.40
LogP ≤ 52.50
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Analyze cyclopropyl-[4-[[6-(1H-pyrazol-5-yl)-3-pyridinyl]oxymethyl]piperidin-1-yl]methanone with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of cyclopropyl-[4-[[6-(1H-pyrazol-5-yl)-3-pyridinyl]oxymethyl]piperidin-1-yl]methanone?
The IUPAC name of cyclopropyl-[4-[[6-(1H-pyrazol-5-yl)-3-pyridinyl]oxymethyl]piperidin-1-yl]methanone (CID 155790650) is cyclopropyl-[4-[[6-(1H-pyrazol-5-yl)-3-pyridinyl]oxymethyl]piperidin-1-yl]methanone.
What is the SMILES notation for cyclopropyl-[4-[[6-(1H-pyrazol-5-yl)-3-pyridinyl]oxymethyl]piperidin-1-yl]methanone?
The canonical SMILES for cyclopropyl-[4-[[6-(1H-pyrazol-5-yl)-3-pyridinyl]oxymethyl]piperidin-1-yl]methanone is O=C(C1CC1)N1CCC(COc2ccc(-c3ccn[nH]3)nc2)CC1.
What is the InChIKey of cyclopropyl-[4-[[6-(1H-pyrazol-5-yl)-3-pyridinyl]oxymethyl]piperidin-1-yl]methanone?
The InChIKey is HNIIYJYUNDTORU-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H22N4O2/c23-18(14-1-2-14)22-9-6-13(7-10-22)12-24-15-3-4-16(19-11-15)17-5-8-20-21-17/h3-5,8,11,13-14H,1-2,6-7,9-10,12H2,(H,20,21).
What are the key properties of cyclopropyl-[4-[[6-(1H-pyrazol-5-yl)-3-pyridinyl]oxymethyl]piperidin-1-yl]methanone?
cyclopropyl-[4-[[6-(1H-pyrazol-5-yl)-3-pyridinyl]oxymethyl]piperidin-1-yl]methanone has a molecular weight of 326.40 g/mol, XLogP of 2.50, 5 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for cyclopropyl-[4-[[6-(1H-pyrazol-5-yl)-3-pyridinyl]oxymethyl]piperidin-1-yl]methanone is sourced from PubChem (CID 155790650), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).