1-[1-[5-(difluoromethyl)pyrimidin-2-yl]piperidin-4-yl]pyrrolidin-2-one

C14H18F2N4O — CID 156733456

IUPAC1-[1-[5-(difluoromethyl)pyrimidin-2-yl]piperidin-4-yl]pyrrolidin-2-one
SMILESO=C1CCCN1C1CCN(c2ncc(C(F)F)cn2)CC1
InChIInChI=1S/C14H18F2N4O/c15-13(16)10-8-17-14(18-9-10)19-6-3-11(4-7-19)20-5-1-2-12(20)21/h8-9,11,13H,1-7H2
InChIKeyDWVNOYRUQHTQFZ-UHFFFAOYSA-N
MW296.32 g/mol
LogP2.01
Rot. Bonds3

About 1-[1-[5-(difluoromethyl)pyrimidin-2-yl]piperidin-4-yl]pyrrolidin-2-one

1-[1-[5-(difluoromethyl)pyrimidin-2-yl]piperidin-4-yl]pyrrolidin-2-one (PubChem CID 156733456) has the molecular formula C14H18F2N4O and a molecular weight of 296.32 g/mol. Its IUPAC name is 1-[1-[5-(difluoromethyl)pyrimidin-2-yl]piperidin-4-yl]pyrrolidin-2-one.

Molecular Properties

Compound Name1-[1-[5-(difluoromethyl)pyrimidin-2-yl]piperidin-4-yl]pyrrolidin-2-one
PubChem CID156733456
Molecular FormulaC14H18F2N4O
Molecular Weight296.32 g/mol
Exact Mass296.14
IUPAC Name1-[1-[5-(difluoromethyl)pyrimidin-2-yl]piperidin-4-yl]pyrrolidin-2-one
SMILESO=C1CCCN1C1CCN(c2ncc(C(F)F)cn2)CC1
InChIInChI=1S/C14H18F2N4O/c15-13(16)10-8-17-14(18-9-10)19-6-3-11(4-7-19)20-5-1-2-12(20)21/h8-9,11,13H,1-7H2
InChIKeyDWVNOYRUQHTQFZ-UHFFFAOYSA-N
XLogP2.01
TPSA49.33 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500296.32
LogP ≤ 52.01
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Related Compounds

1-[1-[4-(dimethylamino)pyrimidin-2-yl]piperidin-4-yl]pyrrolidin-2-one
CID 126899370
1-[1-[3-(trifluoromethyl)-2-pyridinyl]piperidin-4-yl]pyrrolidin-2-one
CID 56872917
1-cyclodecylpyrrolidin-2-one
CID 138507623
azane;1-cyclohexylpyrrolidin-2-one
CID 172723863
2,3,6,7,8,8a-hexahydro-1H-indolizin-5-one
CID 11789283
(8aR)-2,3,6,7,8,8a-hexahydro-1H-indolizin-5-one
CID 11051727
1-[1-[6-(trifluoromethyl)pyridazin-3-yl]piperidin-4-yl]piperidin-2-one
CID 133420344
ethane;1-(1-propan-2-ylpiperidin-4-yl)pyrrolidin-2-one
CID 156829951
1-[1-(3-amino-2-pyridinyl)piperidin-4-yl]piperidin-2-one
CID 71155695
1-[1-(7-bromo-1,5-naphthyridin-4-yl)piperidin-4-yl]pyrrolidin-2-one
CID 133482933
1-[1-(6-ethyl-5-fluoropyrimidin-4-yl)piperidin-4-yl]piperidin-2-one
CID 133420422
1-[1-(5-methylsulfanyl-2-pyridinyl)pyrrolidin-3-yl]pyrrolidin-2-one
CID 91602124

Frequently Asked Questions

What is the IUPAC name of 1-[1-[5-(difluoromethyl)pyrimidin-2-yl]piperidin-4-yl]pyrrolidin-2-one?
The IUPAC name of 1-[1-[5-(difluoromethyl)pyrimidin-2-yl]piperidin-4-yl]pyrrolidin-2-one (CID 156733456) is 1-[1-[5-(difluoromethyl)pyrimidin-2-yl]piperidin-4-yl]pyrrolidin-2-one.
What is the SMILES notation for 1-[1-[5-(difluoromethyl)pyrimidin-2-yl]piperidin-4-yl]pyrrolidin-2-one?
The canonical SMILES for 1-[1-[5-(difluoromethyl)pyrimidin-2-yl]piperidin-4-yl]pyrrolidin-2-one is O=C1CCCN1C1CCN(c2ncc(C(F)F)cn2)CC1.
What is the InChIKey of 1-[1-[5-(difluoromethyl)pyrimidin-2-yl]piperidin-4-yl]pyrrolidin-2-one?
The InChIKey is DWVNOYRUQHTQFZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H18F2N4O/c15-13(16)10-8-17-14(18-9-10)19-6-3-11(4-7-19)20-5-1-2-12(20)21/h8-9,11,13H,1-7H2.
What are the key properties of 1-[1-[5-(difluoromethyl)pyrimidin-2-yl]piperidin-4-yl]pyrrolidin-2-one?
1-[1-[5-(difluoromethyl)pyrimidin-2-yl]piperidin-4-yl]pyrrolidin-2-one has a molecular weight of 296.32 g/mol, XLogP of 2.01, 3 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[1-[5-(difluoromethyl)pyrimidin-2-yl]piperidin-4-yl]pyrrolidin-2-one is sourced from PubChem (CID 156733456), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).