1-[4-[(2-cyclopropyl-5-methylimidazol-1-yl)methyl]piperidin-1-yl]ethanone

C15H23N3O — CID 110198102

IUPAC1-[4-[(2-cyclopropyl-5-methylimidazol-1-yl)methyl]piperidin-1-yl]ethanone
SMILESCC(=O)N1CCC(Cn2c(C)cnc2C2CC2)CC1
InChIInChI=1S/C15H23N3O/c1-11-9-16-15(14-3-4-14)18(11)10-13-5-7-17(8-6-13)12(2)19/h9,13-14H,3-8,10H2,1-2H3
InChIKeyLOMAVMRKDWBLIX-UHFFFAOYSA-N
MW261.37 g/mol
LogP2.33
Rot. Bonds3

About 1-[4-[(2-cyclopropyl-5-methylimidazol-1-yl)methyl]piperidin-1-yl]ethanone

1-[4-[(2-cyclopropyl-5-methylimidazol-1-yl)methyl]piperidin-1-yl]ethanone (PubChem CID 110198102) has the molecular formula C15H23N3O and a molecular weight of 261.37 g/mol. Its IUPAC name is 1-[4-[(2-cyclopropyl-5-methylimidazol-1-yl)methyl]piperidin-1-yl]ethanone.

Molecular Properties

Compound Name1-[4-[(2-cyclopropyl-5-methylimidazol-1-yl)methyl]piperidin-1-yl]ethanone
PubChem CID110198102
Molecular FormulaC15H23N3O
Molecular Weight261.37 g/mol
Exact Mass261.18
IUPAC Name1-[4-[(2-cyclopropyl-5-methylimidazol-1-yl)methyl]piperidin-1-yl]ethanone
SMILESCC(=O)N1CCC(Cn2c(C)cnc2C2CC2)CC1
InChIInChI=1S/C15H23N3O/c1-11-9-16-15(14-3-4-14)18(11)10-13-5-7-17(8-6-13)12(2)19/h9,13-14H,3-8,10H2,1-2H3
InChIKeyLOMAVMRKDWBLIX-UHFFFAOYSA-N
XLogP2.33
TPSA38.13 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500261.37
LogP ≤ 52.33
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 1-[4-[(2-cyclopropyl-5-methylimidazol-1-yl)methyl]piperidin-1-yl]ethanone?
The IUPAC name of 1-[4-[(2-cyclopropyl-5-methylimidazol-1-yl)methyl]piperidin-1-yl]ethanone (CID 110198102) is 1-[4-[(2-cyclopropyl-5-methylimidazol-1-yl)methyl]piperidin-1-yl]ethanone.
What is the SMILES notation for 1-[4-[(2-cyclopropyl-5-methylimidazol-1-yl)methyl]piperidin-1-yl]ethanone?
The canonical SMILES for 1-[4-[(2-cyclopropyl-5-methylimidazol-1-yl)methyl]piperidin-1-yl]ethanone is CC(=O)N1CCC(Cn2c(C)cnc2C2CC2)CC1.
What is the InChIKey of 1-[4-[(2-cyclopropyl-5-methylimidazol-1-yl)methyl]piperidin-1-yl]ethanone?
The InChIKey is LOMAVMRKDWBLIX-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H23N3O/c1-11-9-16-15(14-3-4-14)18(11)10-13-5-7-17(8-6-13)12(2)19/h9,13-14H,3-8,10H2,1-2H3.
What are the key properties of 1-[4-[(2-cyclopropyl-5-methylimidazol-1-yl)methyl]piperidin-1-yl]ethanone?
1-[4-[(2-cyclopropyl-5-methylimidazol-1-yl)methyl]piperidin-1-yl]ethanone has a molecular weight of 261.37 g/mol, XLogP of 2.33, 3 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[4-[(2-cyclopropyl-5-methylimidazol-1-yl)methyl]piperidin-1-yl]ethanone is sourced from PubChem (CID 110198102), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).