[2-(3-fluorophenyl)cyclopropyl]-[3-(morpholin-4-ylmethyl)piperidin-1-yl]methanone

C20H27FN2O2 — CID 71931632

IUPAC[2-(3-fluorophenyl)cyclopropyl]-[3-(morpholin-4-ylmethyl)piperidin-1-yl]methanone
SMILESO=C(C1CC1c1cccc(F)c1)N1CCCC(CN2CCOCC2)C1
InChIInChI=1S/C20H27FN2O2/c21-17-5-1-4-16(11-17)18-12-19(18)20(24)23-6-2-3-15(14-23)13-22-7-9-25-10-8-22/h1,4-5,11,15,18-19H,2-3,6-10,12-14H2
InChIKeyGSSRTXKOPSEMNO-UHFFFAOYSA-N
MW346.45 g/mol
LogP2.50
Rot. Bonds4

About [2-(3-fluorophenyl)cyclopropyl]-[3-(morpholin-4-ylmethyl)piperidin-1-yl]methanone

[2-(3-fluorophenyl)cyclopropyl]-[3-(morpholin-4-ylmethyl)piperidin-1-yl]methanone (PubChem CID 71931632) has the molecular formula C20H27FN2O2 and a molecular weight of 346.45 g/mol. Its IUPAC name is [2-(3-fluorophenyl)cyclopropyl]-[3-(morpholin-4-ylmethyl)piperidin-1-yl]methanone.

Molecular Properties

Compound Name[2-(3-fluorophenyl)cyclopropyl]-[3-(morpholin-4-ylmethyl)piperidin-1-yl]methanone
PubChem CID71931632
Molecular FormulaC20H27FN2O2
Molecular Weight346.45 g/mol
Exact Mass346.21
IUPAC Name[2-(3-fluorophenyl)cyclopropyl]-[3-(morpholin-4-ylmethyl)piperidin-1-yl]methanone
SMILESO=C(C1CC1c1cccc(F)c1)N1CCCC(CN2CCOCC2)C1
InChIInChI=1S/C20H27FN2O2/c21-17-5-1-4-16(11-17)18-12-19(18)20(24)23-6-2-3-15(14-23)13-22-7-9-25-10-8-22/h1,4-5,11,15,18-19H,2-3,6-10,12-14H2
InChIKeyGSSRTXKOPSEMNO-UHFFFAOYSA-N
XLogP2.50
TPSA32.78 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500346.45
LogP ≤ 52.50
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of [2-(3-fluorophenyl)cyclopropyl]-[3-(morpholin-4-ylmethyl)piperidin-1-yl]methanone?
The IUPAC name of [2-(3-fluorophenyl)cyclopropyl]-[3-(morpholin-4-ylmethyl)piperidin-1-yl]methanone (CID 71931632) is [2-(3-fluorophenyl)cyclopropyl]-[3-(morpholin-4-ylmethyl)piperidin-1-yl]methanone.
What is the SMILES notation for [2-(3-fluorophenyl)cyclopropyl]-[3-(morpholin-4-ylmethyl)piperidin-1-yl]methanone?
The canonical SMILES for [2-(3-fluorophenyl)cyclopropyl]-[3-(morpholin-4-ylmethyl)piperidin-1-yl]methanone is O=C(C1CC1c1cccc(F)c1)N1CCCC(CN2CCOCC2)C1.
What is the InChIKey of [2-(3-fluorophenyl)cyclopropyl]-[3-(morpholin-4-ylmethyl)piperidin-1-yl]methanone?
The InChIKey is GSSRTXKOPSEMNO-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H27FN2O2/c21-17-5-1-4-16(11-17)18-12-19(18)20(24)23-6-2-3-15(14-23)13-22-7-9-25-10-8-22/h1,4-5,11,15,18-19H,2-3,6-10,12-14H2.
What are the key properties of [2-(3-fluorophenyl)cyclopropyl]-[3-(morpholin-4-ylmethyl)piperidin-1-yl]methanone?
[2-(3-fluorophenyl)cyclopropyl]-[3-(morpholin-4-ylmethyl)piperidin-1-yl]methanone has a molecular weight of 346.45 g/mol, XLogP of 2.50, 4 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for [2-(3-fluorophenyl)cyclopropyl]-[3-(morpholin-4-ylmethyl)piperidin-1-yl]methanone is sourced from PubChem (CID 71931632), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).