(3,5-difluorophenyl)-(1-piperidin-4-ylpyrrol-2-yl)methanone

C16H16F2N2O — CID 116564823

IUPAC(3,5-difluorophenyl)-(1-piperidin-4-ylpyrrol-2-yl)methanone
SMILESO=C(c1cc(F)cc(F)c1)c1cccn1C1CCNCC1
InChIInChI=1S/C16H16F2N2O/c17-12-8-11(9-13(18)10-12)16(21)15-2-1-7-20(15)14-3-5-19-6-4-14/h1-2,7-10,14,19H,3-6H2
InChIKeyHKKWEIWCKDNFSA-UHFFFAOYSA-N
MW290.31 g/mol
LogP2.92
Rot. Bonds3

About (3,5-difluorophenyl)-(1-piperidin-4-ylpyrrol-2-yl)methanone

(3,5-difluorophenyl)-(1-piperidin-4-ylpyrrol-2-yl)methanone (PubChem CID 116564823) has the molecular formula C16H16F2N2O and a molecular weight of 290.31 g/mol. Its IUPAC name is (3,5-difluorophenyl)-(1-piperidin-4-ylpyrrol-2-yl)methanone.

Molecular Properties

Compound Name(3,5-difluorophenyl)-(1-piperidin-4-ylpyrrol-2-yl)methanone
PubChem CID116564823
Molecular FormulaC16H16F2N2O
Molecular Weight290.31 g/mol
Exact Mass290.12
IUPAC Name(3,5-difluorophenyl)-(1-piperidin-4-ylpyrrol-2-yl)methanone
SMILESO=C(c1cc(F)cc(F)c1)c1cccn1C1CCNCC1
InChIInChI=1S/C16H16F2N2O/c17-12-8-11(9-13(18)10-12)16(21)15-2-1-7-20(15)14-3-5-19-6-4-14/h1-2,7-10,14,19H,3-6H2
InChIKeyHKKWEIWCKDNFSA-UHFFFAOYSA-N
XLogP2.92
TPSA34.03 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500290.31
LogP ≤ 52.92
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

(2-fluorophenyl)-(1-piperidin-4-ylpyrrol-2-yl)methanone
CID 116564738
cyclopropyl-(1-piperidin-4-ylpyrrol-2-yl)methanone
CID 116564829
azepan-1-yl-(1-piperidin-4-ylpyrrol-2-yl)methanone
CID 62716935
(1-piperidin-4-ylpyrrol-2-yl)-pyrazin-2-ylmethanone
CID 116564790
5,5,5-trifluoro-1-(1-piperidin-4-ylpyrrol-2-yl)pentan-1-one
CID 116564797
(2-amino-5-chloro-3-pyridinyl)-(1-piperidin-4-ylpyrrol-2-yl)methanone
CID 116564766
morpholin-4-yl-(1-piperidin-4-ylpyrrol-2-yl)methanone
CID 62715735
(1-cyclohexylpyrrol-2-yl)-phenylmethanone
CID 25137250
3-methyl-1-(1-piperidin-4-ylpyrrol-2-yl)but-3-en-1-one
CID 116564816
(3,5-dimethylpiperidin-1-yl)-(1-piperidin-4-ylpyrrol-2-yl)methanone
CID 62716093
N-(3-methylcyclopentyl)-1-piperidin-4-ylpyrrole-2-carboxamide
CID 114546140
1-piperidin-4-yl-N-(1H-pyrazol-5-yl)pyrrole-2-carboxamide
CID 62715754

Frequently Asked Questions

What is the IUPAC name of (3,5-difluorophenyl)-(1-piperidin-4-ylpyrrol-2-yl)methanone?
The IUPAC name of (3,5-difluorophenyl)-(1-piperidin-4-ylpyrrol-2-yl)methanone (CID 116564823) is (3,5-difluorophenyl)-(1-piperidin-4-ylpyrrol-2-yl)methanone.
What is the SMILES notation for (3,5-difluorophenyl)-(1-piperidin-4-ylpyrrol-2-yl)methanone?
The canonical SMILES for (3,5-difluorophenyl)-(1-piperidin-4-ylpyrrol-2-yl)methanone is O=C(c1cc(F)cc(F)c1)c1cccn1C1CCNCC1.
What is the InChIKey of (3,5-difluorophenyl)-(1-piperidin-4-ylpyrrol-2-yl)methanone?
The InChIKey is HKKWEIWCKDNFSA-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H16F2N2O/c17-12-8-11(9-13(18)10-12)16(21)15-2-1-7-20(15)14-3-5-19-6-4-14/h1-2,7-10,14,19H,3-6H2.
What are the key properties of (3,5-difluorophenyl)-(1-piperidin-4-ylpyrrol-2-yl)methanone?
(3,5-difluorophenyl)-(1-piperidin-4-ylpyrrol-2-yl)methanone has a molecular weight of 290.31 g/mol, XLogP of 2.92, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (3,5-difluorophenyl)-(1-piperidin-4-ylpyrrol-2-yl)methanone is sourced from PubChem (CID 116564823), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).