[1-[1-(4-fluorophenyl)cyclopropanecarbonyl]pyrrolidin-2-yl]-morpholin-4-ylmethanone

C19H23FN2O3 — CID 156606158

IUPAC[1-[1-(4-fluorophenyl)cyclopropanecarbonyl]pyrrolidin-2-yl]-morpholin-4-ylmethanone
SMILESO=C(C1CCCN1C(=O)C1(c2ccc(F)cc2)CC1)N1CCOCC1
InChIInChI=1S/C19H23FN2O3/c20-15-5-3-14(4-6-15)19(7-8-19)18(24)22-9-1-2-16(22)17(23)21-10-12-25-13-11-21/h3-6,16H,1-2,7-13H2
InChIKeyKTVWKIFNVZFIKS-UHFFFAOYSA-N
MW346.40 g/mol
LogP1.71
Rot. Bonds3

About [1-[1-(4-fluorophenyl)cyclopropanecarbonyl]pyrrolidin-2-yl]-morpholin-4-ylmethanone

[1-[1-(4-fluorophenyl)cyclopropanecarbonyl]pyrrolidin-2-yl]-morpholin-4-ylmethanone (PubChem CID 156606158) has the molecular formula C19H23FN2O3 and a molecular weight of 346.40 g/mol. Its IUPAC name is [1-[1-(4-fluorophenyl)cyclopropanecarbonyl]pyrrolidin-2-yl]-morpholin-4-ylmethanone.

Molecular Properties

Compound Name[1-[1-(4-fluorophenyl)cyclopropanecarbonyl]pyrrolidin-2-yl]-morpholin-4-ylmethanone
PubChem CID156606158
Molecular FormulaC19H23FN2O3
Molecular Weight346.40 g/mol
Exact Mass346.17
IUPAC Name[1-[1-(4-fluorophenyl)cyclopropanecarbonyl]pyrrolidin-2-yl]-morpholin-4-ylmethanone
SMILESO=C(C1CCCN1C(=O)C1(c2ccc(F)cc2)CC1)N1CCOCC1
InChIInChI=1S/C19H23FN2O3/c20-15-5-3-14(4-6-15)19(7-8-19)18(24)22-9-1-2-16(22)17(23)21-10-12-25-13-11-21/h3-6,16H,1-2,7-13H2
InChIKeyKTVWKIFNVZFIKS-UHFFFAOYSA-N
XLogP1.71
TPSA49.85 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500346.40
LogP ≤ 51.71
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of [1-[1-(4-fluorophenyl)cyclopropanecarbonyl]pyrrolidin-2-yl]-morpholin-4-ylmethanone?
The IUPAC name of [1-[1-(4-fluorophenyl)cyclopropanecarbonyl]pyrrolidin-2-yl]-morpholin-4-ylmethanone (CID 156606158) is [1-[1-(4-fluorophenyl)cyclopropanecarbonyl]pyrrolidin-2-yl]-morpholin-4-ylmethanone.
What is the SMILES notation for [1-[1-(4-fluorophenyl)cyclopropanecarbonyl]pyrrolidin-2-yl]-morpholin-4-ylmethanone?
The canonical SMILES for [1-[1-(4-fluorophenyl)cyclopropanecarbonyl]pyrrolidin-2-yl]-morpholin-4-ylmethanone is O=C(C1CCCN1C(=O)C1(c2ccc(F)cc2)CC1)N1CCOCC1.
What is the InChIKey of [1-[1-(4-fluorophenyl)cyclopropanecarbonyl]pyrrolidin-2-yl]-morpholin-4-ylmethanone?
The InChIKey is KTVWKIFNVZFIKS-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H23FN2O3/c20-15-5-3-14(4-6-15)19(7-8-19)18(24)22-9-1-2-16(22)17(23)21-10-12-25-13-11-21/h3-6,16H,1-2,7-13H2.
What are the key properties of [1-[1-(4-fluorophenyl)cyclopropanecarbonyl]pyrrolidin-2-yl]-morpholin-4-ylmethanone?
[1-[1-(4-fluorophenyl)cyclopropanecarbonyl]pyrrolidin-2-yl]-morpholin-4-ylmethanone has a molecular weight of 346.40 g/mol, XLogP of 1.71, 3 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for [1-[1-(4-fluorophenyl)cyclopropanecarbonyl]pyrrolidin-2-yl]-morpholin-4-ylmethanone is sourced from PubChem (CID 156606158), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).