4-[4-(difluoromethyl)piperidine-1-carbonyl]-1-(2-morpholin-4-ylethyl)pyrrolidin-2-one

C17H27F2N3O3 — CID 127501019

IUPAC4-[4-(difluoromethyl)piperidine-1-carbonyl]-1-(2-morpholin-4-ylethyl)pyrrolidin-2-one
SMILESO=C1CC(C(=O)N2CCC(C(F)F)CC2)CN1CCN1CCOCC1
InChIInChI=1S/C17H27F2N3O3/c18-16(19)13-1-3-21(4-2-13)17(24)14-11-15(23)22(12-14)6-5-20-7-9-25-10-8-20/h13-14,16H,1-12H2
InChIKeyNKOCYPMAPNMREC-UHFFFAOYSA-N
MW359.42 g/mol
LogP0.67
Rot. Bonds5

About 4-[4-(difluoromethyl)piperidine-1-carbonyl]-1-(2-morpholin-4-ylethyl)pyrrolidin-2-one

4-[4-(difluoromethyl)piperidine-1-carbonyl]-1-(2-morpholin-4-ylethyl)pyrrolidin-2-one (PubChem CID 127501019) has the molecular formula C17H27F2N3O3 and a molecular weight of 359.42 g/mol. Its IUPAC name is 4-[4-(difluoromethyl)piperidine-1-carbonyl]-1-(2-morpholin-4-ylethyl)pyrrolidin-2-one.

Molecular Properties

Compound Name4-[4-(difluoromethyl)piperidine-1-carbonyl]-1-(2-morpholin-4-ylethyl)pyrrolidin-2-one
PubChem CID127501019
Molecular FormulaC17H27F2N3O3
Molecular Weight359.42 g/mol
Exact Mass359.20
IUPAC Name4-[4-(difluoromethyl)piperidine-1-carbonyl]-1-(2-morpholin-4-ylethyl)pyrrolidin-2-one
SMILESO=C1CC(C(=O)N2CCC(C(F)F)CC2)CN1CCN1CCOCC1
InChIInChI=1S/C17H27F2N3O3/c18-16(19)13-1-3-21(4-2-13)17(24)14-11-15(23)22(12-14)6-5-20-7-9-25-10-8-20/h13-14,16H,1-12H2
InChIKeyNKOCYPMAPNMREC-UHFFFAOYSA-N
XLogP0.67
TPSA53.09 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500359.42
LogP ≤ 50.67
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 4-[4-(difluoromethyl)piperidine-1-carbonyl]-1-(2-morpholin-4-ylethyl)pyrrolidin-2-one?
The IUPAC name of 4-[4-(difluoromethyl)piperidine-1-carbonyl]-1-(2-morpholin-4-ylethyl)pyrrolidin-2-one (CID 127501019) is 4-[4-(difluoromethyl)piperidine-1-carbonyl]-1-(2-morpholin-4-ylethyl)pyrrolidin-2-one.
What is the SMILES notation for 4-[4-(difluoromethyl)piperidine-1-carbonyl]-1-(2-morpholin-4-ylethyl)pyrrolidin-2-one?
The canonical SMILES for 4-[4-(difluoromethyl)piperidine-1-carbonyl]-1-(2-morpholin-4-ylethyl)pyrrolidin-2-one is O=C1CC(C(=O)N2CCC(C(F)F)CC2)CN1CCN1CCOCC1.
What is the InChIKey of 4-[4-(difluoromethyl)piperidine-1-carbonyl]-1-(2-morpholin-4-ylethyl)pyrrolidin-2-one?
The InChIKey is NKOCYPMAPNMREC-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H27F2N3O3/c18-16(19)13-1-3-21(4-2-13)17(24)14-11-15(23)22(12-14)6-5-20-7-9-25-10-8-20/h13-14,16H,1-12H2.
What are the key properties of 4-[4-(difluoromethyl)piperidine-1-carbonyl]-1-(2-morpholin-4-ylethyl)pyrrolidin-2-one?
4-[4-(difluoromethyl)piperidine-1-carbonyl]-1-(2-morpholin-4-ylethyl)pyrrolidin-2-one has a molecular weight of 359.42 g/mol, XLogP of 0.67, 5 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[4-(difluoromethyl)piperidine-1-carbonyl]-1-(2-morpholin-4-ylethyl)pyrrolidin-2-one is sourced from PubChem (CID 127501019), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).