[4-[(6-cyclopropylpyrimidin-4-yl)oxymethyl]piperidin-1-yl]-(1-methylimidazol-4-yl)methanone

C18H23N5O2 — CID 134160806

IUPAC[4-[(6-cyclopropylpyrimidin-4-yl)oxymethyl]piperidin-1-yl]-(1-methylimidazol-4-yl)methanone
SMILESCn1cnc(C(=O)N2CCC(COc3cc(C4CC4)ncn3)CC2)c1
InChIInChI=1S/C18H23N5O2/c1-22-9-16(21-12-22)18(24)23-6-4-13(5-7-23)10-25-17-8-15(14-2-3-14)19-11-20-17/h8-9,11-14H,2-7,10H2,1H3
InChIKeyOWNATCYOSXVQKW-UHFFFAOYSA-N
MW341.42 g/mol
LogP2.02
Rot. Bonds5

About [4-[(6-cyclopropylpyrimidin-4-yl)oxymethyl]piperidin-1-yl]-(1-methylimidazol-4-yl)methanone

[4-[(6-cyclopropylpyrimidin-4-yl)oxymethyl]piperidin-1-yl]-(1-methylimidazol-4-yl)methanone (PubChem CID 134160806) has the molecular formula C18H23N5O2 and a molecular weight of 341.42 g/mol. Its IUPAC name is [4-[(6-cyclopropylpyrimidin-4-yl)oxymethyl]piperidin-1-yl]-(1-methylimidazol-4-yl)methanone.

Molecular Properties

Compound Name[4-[(6-cyclopropylpyrimidin-4-yl)oxymethyl]piperidin-1-yl]-(1-methylimidazol-4-yl)methanone
PubChem CID134160806
Molecular FormulaC18H23N5O2
Molecular Weight341.42 g/mol
Exact Mass341.19
IUPAC Name[4-[(6-cyclopropylpyrimidin-4-yl)oxymethyl]piperidin-1-yl]-(1-methylimidazol-4-yl)methanone
SMILESCn1cnc(C(=O)N2CCC(COc3cc(C4CC4)ncn3)CC2)c1
InChIInChI=1S/C18H23N5O2/c1-22-9-16(21-12-22)18(24)23-6-4-13(5-7-23)10-25-17-8-15(14-2-3-14)19-11-20-17/h8-9,11-14H,2-7,10H2,1H3
InChIKeyOWNATCYOSXVQKW-UHFFFAOYSA-N
XLogP2.02
TPSA73.14 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds5
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500341.42
LogP ≤ 52.02
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

Analyze [4-[(6-cyclopropylpyrimidin-4-yl)oxymethyl]piperidin-1-yl]-(1-methylimidazol-4-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 [4-[(6-cyclopropylpyrimidin-4-yl)oxymethyl]piperidin-1-yl]-(1-methylimidazol-4-yl)methanone?
The IUPAC name of [4-[(6-cyclopropylpyrimidin-4-yl)oxymethyl]piperidin-1-yl]-(1-methylimidazol-4-yl)methanone (CID 134160806) is [4-[(6-cyclopropylpyrimidin-4-yl)oxymethyl]piperidin-1-yl]-(1-methylimidazol-4-yl)methanone.
What is the SMILES notation for [4-[(6-cyclopropylpyrimidin-4-yl)oxymethyl]piperidin-1-yl]-(1-methylimidazol-4-yl)methanone?
The canonical SMILES for [4-[(6-cyclopropylpyrimidin-4-yl)oxymethyl]piperidin-1-yl]-(1-methylimidazol-4-yl)methanone is Cn1cnc(C(=O)N2CCC(COc3cc(C4CC4)ncn3)CC2)c1.
What is the InChIKey of [4-[(6-cyclopropylpyrimidin-4-yl)oxymethyl]piperidin-1-yl]-(1-methylimidazol-4-yl)methanone?
The InChIKey is OWNATCYOSXVQKW-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H23N5O2/c1-22-9-16(21-12-22)18(24)23-6-4-13(5-7-23)10-25-17-8-15(14-2-3-14)19-11-20-17/h8-9,11-14H,2-7,10H2,1H3.
What are the key properties of [4-[(6-cyclopropylpyrimidin-4-yl)oxymethyl]piperidin-1-yl]-(1-methylimidazol-4-yl)methanone?
[4-[(6-cyclopropylpyrimidin-4-yl)oxymethyl]piperidin-1-yl]-(1-methylimidazol-4-yl)methanone has a molecular weight of 341.42 g/mol, XLogP of 2.02, 5 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for [4-[(6-cyclopropylpyrimidin-4-yl)oxymethyl]piperidin-1-yl]-(1-methylimidazol-4-yl)methanone is sourced from PubChem (CID 134160806), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).