[4-(2-methoxyethoxy)piperidin-1-yl]-(1-phenylcyclopropyl)methanone

C18H25NO3 — CID 91918271

IUPAC[4-(2-methoxyethoxy)piperidin-1-yl]-(1-phenylcyclopropyl)methanone
SMILESCOCCOC1CCN(C(=O)C2(c3ccccc3)CC2)CC1
InChIInChI=1S/C18H25NO3/c1-21-13-14-22-16-7-11-19(12-8-16)17(20)18(9-10-18)15-5-3-2-4-6-15/h2-6,16H,7-14H2,1H3
InChIKeyTYLUHHYHQHDJOJ-UHFFFAOYSA-N
MW303.40 g/mol
LogP2.37
Rot. Bonds6

About [4-(2-methoxyethoxy)piperidin-1-yl]-(1-phenylcyclopropyl)methanone

[4-(2-methoxyethoxy)piperidin-1-yl]-(1-phenylcyclopropyl)methanone (PubChem CID 91918271) has the molecular formula C18H25NO3 and a molecular weight of 303.40 g/mol. Its IUPAC name is [4-(2-methoxyethoxy)piperidin-1-yl]-(1-phenylcyclopropyl)methanone.

Molecular Properties

Compound Name[4-(2-methoxyethoxy)piperidin-1-yl]-(1-phenylcyclopropyl)methanone
PubChem CID91918271
Molecular FormulaC18H25NO3
Molecular Weight303.40 g/mol
Exact Mass303.18
IUPAC Name[4-(2-methoxyethoxy)piperidin-1-yl]-(1-phenylcyclopropyl)methanone
SMILESCOCCOC1CCN(C(=O)C2(c3ccccc3)CC2)CC1
InChIInChI=1S/C18H25NO3/c1-21-13-14-22-16-7-11-19(12-8-16)17(20)18(9-10-18)15-5-3-2-4-6-15/h2-6,16H,7-14H2,1H3
InChIKeyTYLUHHYHQHDJOJ-UHFFFAOYSA-N
XLogP2.37
TPSA38.77 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500303.40
LogP ≤ 52.37
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of [4-(2-methoxyethoxy)piperidin-1-yl]-(1-phenylcyclopropyl)methanone?
The IUPAC name of [4-(2-methoxyethoxy)piperidin-1-yl]-(1-phenylcyclopropyl)methanone (CID 91918271) is [4-(2-methoxyethoxy)piperidin-1-yl]-(1-phenylcyclopropyl)methanone.
What is the SMILES notation for [4-(2-methoxyethoxy)piperidin-1-yl]-(1-phenylcyclopropyl)methanone?
The canonical SMILES for [4-(2-methoxyethoxy)piperidin-1-yl]-(1-phenylcyclopropyl)methanone is COCCOC1CCN(C(=O)C2(c3ccccc3)CC2)CC1.
What is the InChIKey of [4-(2-methoxyethoxy)piperidin-1-yl]-(1-phenylcyclopropyl)methanone?
The InChIKey is TYLUHHYHQHDJOJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H25NO3/c1-21-13-14-22-16-7-11-19(12-8-16)17(20)18(9-10-18)15-5-3-2-4-6-15/h2-6,16H,7-14H2,1H3.
What are the key properties of [4-(2-methoxyethoxy)piperidin-1-yl]-(1-phenylcyclopropyl)methanone?
[4-(2-methoxyethoxy)piperidin-1-yl]-(1-phenylcyclopropyl)methanone has a molecular weight of 303.40 g/mol, XLogP of 2.37, 6 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for [4-(2-methoxyethoxy)piperidin-1-yl]-(1-phenylcyclopropyl)methanone is sourced from PubChem (CID 91918271), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).