1-[4-[1-(cyclopropylmethyl)imidazol-2-yl]piperidin-1-yl]-2-methoxyethanone

C15H23N3O2 — CID 70737829

IUPAC1-[4-[1-(cyclopropylmethyl)imidazol-2-yl]piperidin-1-yl]-2-methoxyethanone
SMILESCOCC(=O)N1CCC(c2nccn2CC2CC2)CC1
InChIInChI=1S/C15H23N3O2/c1-20-11-14(19)17-7-4-13(5-8-17)15-16-6-9-18(15)10-12-2-3-12/h6,9,12-13H,2-5,7-8,10-11H2,1H3
InChIKeyAZCNVADHAQHXER-UHFFFAOYSA-N
MW277.37 g/mol
LogP1.65
Rot. Bonds5

About 1-[4-[1-(cyclopropylmethyl)imidazol-2-yl]piperidin-1-yl]-2-methoxyethanone

1-[4-[1-(cyclopropylmethyl)imidazol-2-yl]piperidin-1-yl]-2-methoxyethanone (PubChem CID 70737829) has the molecular formula C15H23N3O2 and a molecular weight of 277.37 g/mol. Its IUPAC name is 1-[4-[1-(cyclopropylmethyl)imidazol-2-yl]piperidin-1-yl]-2-methoxyethanone.

Molecular Properties

Compound Name1-[4-[1-(cyclopropylmethyl)imidazol-2-yl]piperidin-1-yl]-2-methoxyethanone
PubChem CID70737829
Molecular FormulaC15H23N3O2
Molecular Weight277.37 g/mol
Exact Mass277.18
IUPAC Name1-[4-[1-(cyclopropylmethyl)imidazol-2-yl]piperidin-1-yl]-2-methoxyethanone
SMILESCOCC(=O)N1CCC(c2nccn2CC2CC2)CC1
InChIInChI=1S/C15H23N3O2/c1-20-11-14(19)17-7-4-13(5-8-17)15-16-6-9-18(15)10-12-2-3-12/h6,9,12-13H,2-5,7-8,10-11H2,1H3
InChIKeyAZCNVADHAQHXER-UHFFFAOYSA-N
XLogP1.65
TPSA47.36 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500277.37
LogP ≤ 51.65
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 1-[4-[1-(cyclopropylmethyl)imidazol-2-yl]piperidin-1-yl]-2-methoxyethanone?
The IUPAC name of 1-[4-[1-(cyclopropylmethyl)imidazol-2-yl]piperidin-1-yl]-2-methoxyethanone (CID 70737829) is 1-[4-[1-(cyclopropylmethyl)imidazol-2-yl]piperidin-1-yl]-2-methoxyethanone.
What is the SMILES notation for 1-[4-[1-(cyclopropylmethyl)imidazol-2-yl]piperidin-1-yl]-2-methoxyethanone?
The canonical SMILES for 1-[4-[1-(cyclopropylmethyl)imidazol-2-yl]piperidin-1-yl]-2-methoxyethanone is COCC(=O)N1CCC(c2nccn2CC2CC2)CC1.
What is the InChIKey of 1-[4-[1-(cyclopropylmethyl)imidazol-2-yl]piperidin-1-yl]-2-methoxyethanone?
The InChIKey is AZCNVADHAQHXER-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H23N3O2/c1-20-11-14(19)17-7-4-13(5-8-17)15-16-6-9-18(15)10-12-2-3-12/h6,9,12-13H,2-5,7-8,10-11H2,1H3.
What are the key properties of 1-[4-[1-(cyclopropylmethyl)imidazol-2-yl]piperidin-1-yl]-2-methoxyethanone?
1-[4-[1-(cyclopropylmethyl)imidazol-2-yl]piperidin-1-yl]-2-methoxyethanone has a molecular weight of 277.37 g/mol, XLogP of 1.65, 5 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[4-[1-(cyclopropylmethyl)imidazol-2-yl]piperidin-1-yl]-2-methoxyethanone is sourced from PubChem (CID 70737829), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).