(2,3-difluorophenyl)-(2-pyrrolidin-2-ylpiperidin-1-yl)methanone

C16H20F2N2O — CID 63256799

IUPAC(2,3-difluorophenyl)-(2-pyrrolidin-2-ylpiperidin-1-yl)methanone
SMILESO=C(c1cccc(F)c1F)N1CCCCC1C1CCCN1
InChIInChI=1S/C16H20F2N2O/c17-12-6-3-5-11(15(12)18)16(21)20-10-2-1-8-14(20)13-7-4-9-19-13/h3,5-6,13-14,19H,1-2,4,7-10H2
InChIKeyOLVCRJVFPGYQQU-UHFFFAOYSA-N
MW294.34 g/mol
LogP2.71
Rot. Bonds2

About (2,3-difluorophenyl)-(2-pyrrolidin-2-ylpiperidin-1-yl)methanone

(2,3-difluorophenyl)-(2-pyrrolidin-2-ylpiperidin-1-yl)methanone (PubChem CID 63256799) has the molecular formula C16H20F2N2O and a molecular weight of 294.34 g/mol. Its IUPAC name is (2,3-difluorophenyl)-(2-pyrrolidin-2-ylpiperidin-1-yl)methanone.

Molecular Properties

Compound Name(2,3-difluorophenyl)-(2-pyrrolidin-2-ylpiperidin-1-yl)methanone
PubChem CID63256799
Molecular FormulaC16H20F2N2O
Molecular Weight294.34 g/mol
Exact Mass294.15
IUPAC Name(2,3-difluorophenyl)-(2-pyrrolidin-2-ylpiperidin-1-yl)methanone
SMILESO=C(c1cccc(F)c1F)N1CCCCC1C1CCCN1
InChIInChI=1S/C16H20F2N2O/c17-12-6-3-5-11(15(12)18)16(21)20-10-2-1-8-14(20)13-7-4-9-19-13/h3,5-6,13-14,19H,1-2,4,7-10H2
InChIKeyOLVCRJVFPGYQQU-UHFFFAOYSA-N
XLogP2.71
TPSA32.34 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500294.34
LogP ≤ 52.71
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

(3-chloro-2-fluorophenyl)-(2-pyrrolidin-2-ylpyrrolidin-1-yl)methanone
CID 81265009
(2-fluoro-3-methylphenyl)-(2-pyrrolidin-2-ylpyrrolidin-1-yl)methanone
CID 81477265
(2,6-difluorophenyl)-(2-pyrrolidin-2-ylpyrrolidin-1-yl)methanone
CID 62274583
(2-iodophenyl)-(2-pyrrolidin-2-ylpiperidin-1-yl)methanone
CID 63256547
(2-methylsulfanylphenyl)-(2-pyrrolidin-2-ylpiperidin-1-yl)methanone
CID 79213916
(2,6-dihydroxyphenyl)-(2-pyrrolidin-2-ylpiperidin-1-yl)methanone
CID 107690258
(2-chloro-4-fluorophenyl)-(2-pyrrolidin-2-ylpiperidin-1-yl)methanone
CID 63256766
(5-chloro-2-hydroxyphenyl)-(2-pyrrolidin-2-ylpiperidin-1-yl)methanone
CID 63256807
(2,6-dichlorophenyl)-(2-pyrrolidin-2-ylpyrrolidin-1-yl)methanone
CID 62274244
[2-(bromomethyl)piperidin-1-yl]-(2,3-difluorophenyl)methanone
CID 80661009
(2-bromo-5-fluorophenyl)-(2-pyrrolidin-2-ylpyrrolidin-1-yl)methanone
CID 62274236
[2-(1-aminoethyl)piperidin-1-yl]-(2,3-difluorophenyl)methanone;hydrochloride
CID 119437459

Frequently Asked Questions

What is the IUPAC name of (2,3-difluorophenyl)-(2-pyrrolidin-2-ylpiperidin-1-yl)methanone?
The IUPAC name of (2,3-difluorophenyl)-(2-pyrrolidin-2-ylpiperidin-1-yl)methanone (CID 63256799) is (2,3-difluorophenyl)-(2-pyrrolidin-2-ylpiperidin-1-yl)methanone.
What is the SMILES notation for (2,3-difluorophenyl)-(2-pyrrolidin-2-ylpiperidin-1-yl)methanone?
The canonical SMILES for (2,3-difluorophenyl)-(2-pyrrolidin-2-ylpiperidin-1-yl)methanone is O=C(c1cccc(F)c1F)N1CCCCC1C1CCCN1.
What is the InChIKey of (2,3-difluorophenyl)-(2-pyrrolidin-2-ylpiperidin-1-yl)methanone?
The InChIKey is OLVCRJVFPGYQQU-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H20F2N2O/c17-12-6-3-5-11(15(12)18)16(21)20-10-2-1-8-14(20)13-7-4-9-19-13/h3,5-6,13-14,19H,1-2,4,7-10H2.
What are the key properties of (2,3-difluorophenyl)-(2-pyrrolidin-2-ylpiperidin-1-yl)methanone?
(2,3-difluorophenyl)-(2-pyrrolidin-2-ylpiperidin-1-yl)methanone has a molecular weight of 294.34 g/mol, XLogP of 2.71, 2 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (2,3-difluorophenyl)-(2-pyrrolidin-2-ylpiperidin-1-yl)methanone is sourced from PubChem (CID 63256799), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).