1-[1-[(2,4-difluorophenyl)methyl]piperidin-4-yl]pyrrolidin-2-one

C16H20F2N2O — CID 74241962

IUPAC1-[1-[(2,4-difluorophenyl)methyl]piperidin-4-yl]pyrrolidin-2-one
SMILESO=C1CCCN1C1CCN(Cc2ccc(F)cc2F)CC1
InChIInChI=1S/C16H20F2N2O/c17-13-4-3-12(15(18)10-13)11-19-8-5-14(6-9-19)20-7-1-2-16(20)21/h3-4,10,14H,1-2,5-9,11H2
InChIKeyMSRGJIVBAJETFV-UHFFFAOYSA-N
MW294.34 g/mol
LogP2.55
Rot. Bonds3

About 1-[1-[(2,4-difluorophenyl)methyl]piperidin-4-yl]pyrrolidin-2-one

1-[1-[(2,4-difluorophenyl)methyl]piperidin-4-yl]pyrrolidin-2-one (PubChem CID 74241962) has the molecular formula C16H20F2N2O and a molecular weight of 294.34 g/mol. Its IUPAC name is 1-[1-[(2,4-difluorophenyl)methyl]piperidin-4-yl]pyrrolidin-2-one.

Molecular Properties

Compound Name1-[1-[(2,4-difluorophenyl)methyl]piperidin-4-yl]pyrrolidin-2-one
PubChem CID74241962
Molecular FormulaC16H20F2N2O
Molecular Weight294.34 g/mol
Exact Mass294.15
IUPAC Name1-[1-[(2,4-difluorophenyl)methyl]piperidin-4-yl]pyrrolidin-2-one
SMILESO=C1CCCN1C1CCN(Cc2ccc(F)cc2F)CC1
InChIInChI=1S/C16H20F2N2O/c17-13-4-3-12(15(18)10-13)11-19-8-5-14(6-9-19)20-7-1-2-16(20)21/h3-4,10,14H,1-2,5-9,11H2
InChIKeyMSRGJIVBAJETFV-UHFFFAOYSA-N
XLogP2.55
TPSA23.55 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500294.34
LogP ≤ 52.55
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Related Compounds

1-[1-[[4-fluoro-2-(trifluoromethyl)phenyl]methyl]piperidin-4-yl]pyrrolidin-2-one
CID 122138464
4-chloro-1-[(2,4-difluorophenyl)methyl]piperidine
CID 63389167
2-[[4-(2-oxopyrrolidin-1-yl)piperidin-1-yl]methyl]benzoic acid
CID 56876211
1-[1-[(2-cyclopentyloxyphenyl)methyl]piperidin-4-yl]pyrrolidin-2-one
CID 126771040
1-[1-[[2-(trifluoromethyl)phenyl]methyl]piperidin-4-yl]azepan-2-one
CID 134792490
5-[[4-(2-oxopyrrolidin-1-yl)piperidin-1-yl]methyl]-1H-pyrimidine-2,4-dione
CID 56880919
3-[1-[(2,4-difluorophenyl)methyl]piperidin-4-yl]-1H-benzimidazol-2-one
CID 24735754
1-[1-[2-(6-fluoro-1H-benzimidazol-2-yl)ethyl]piperidin-4-yl]pyrrolidin-2-one
CID 56863769
(3R)-1-[(2,4-difluorophenyl)methyl]pyrrolidin-3-amine
CID 24904864
1-[(2,4-difluorophenyl)methyl]-4-methylpiperazine
CID 763846
1-[1-[(2-methylpyrimidin-4-yl)methyl]piperidin-4-yl]pyrrolidin-2-one
CID 126899404
2-[4-[(2,4-difluorophenyl)methyl]piperazin-1-yl]ethanamine
CID 55218660

Frequently Asked Questions

What is the IUPAC name of 1-[1-[(2,4-difluorophenyl)methyl]piperidin-4-yl]pyrrolidin-2-one?
The IUPAC name of 1-[1-[(2,4-difluorophenyl)methyl]piperidin-4-yl]pyrrolidin-2-one (CID 74241962) is 1-[1-[(2,4-difluorophenyl)methyl]piperidin-4-yl]pyrrolidin-2-one.
What is the SMILES notation for 1-[1-[(2,4-difluorophenyl)methyl]piperidin-4-yl]pyrrolidin-2-one?
The canonical SMILES for 1-[1-[(2,4-difluorophenyl)methyl]piperidin-4-yl]pyrrolidin-2-one is O=C1CCCN1C1CCN(Cc2ccc(F)cc2F)CC1.
What is the InChIKey of 1-[1-[(2,4-difluorophenyl)methyl]piperidin-4-yl]pyrrolidin-2-one?
The InChIKey is MSRGJIVBAJETFV-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H20F2N2O/c17-13-4-3-12(15(18)10-13)11-19-8-5-14(6-9-19)20-7-1-2-16(20)21/h3-4,10,14H,1-2,5-9,11H2.
What are the key properties of 1-[1-[(2,4-difluorophenyl)methyl]piperidin-4-yl]pyrrolidin-2-one?
1-[1-[(2,4-difluorophenyl)methyl]piperidin-4-yl]pyrrolidin-2-one has a molecular weight of 294.34 g/mol, XLogP of 2.55, 3 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[1-[(2,4-difluorophenyl)methyl]piperidin-4-yl]pyrrolidin-2-one is sourced from PubChem (CID 74241962), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).