(4,4-difluoropiperidin-1-yl)-(1H-indol-2-yl)methanone

C14H14F2N2O — CID 68887703

IUPAC(4,4-difluoropiperidin-1-yl)-(1H-indol-2-yl)methanone
SMILESO=C(c1cc2ccccc2[nH]1)N1CCC(F)(F)CC1
InChIInChI=1S/C14H14F2N2O/c15-14(16)5-7-18(8-6-14)13(19)12-9-10-3-1-2-4-11(10)17-12/h1-4,9,17H,5-8H2
InChIKeyIAJACKCNGPTFSL-UHFFFAOYSA-N
MW264.27 g/mol
LogP3.04
Rot. Bonds1

About (4,4-difluoropiperidin-1-yl)-(1H-indol-2-yl)methanone

(4,4-difluoropiperidin-1-yl)-(1H-indol-2-yl)methanone (PubChem CID 68887703) has the molecular formula C14H14F2N2O and a molecular weight of 264.27 g/mol. Its IUPAC name is (4,4-difluoropiperidin-1-yl)-(1H-indol-2-yl)methanone.

Molecular Properties

Compound Name(4,4-difluoropiperidin-1-yl)-(1H-indol-2-yl)methanone
PubChem CID68887703
Molecular FormulaC14H14F2N2O
Molecular Weight264.27 g/mol
Exact Mass264.11
IUPAC Name(4,4-difluoropiperidin-1-yl)-(1H-indol-2-yl)methanone
SMILESO=C(c1cc2ccccc2[nH]1)N1CCC(F)(F)CC1
InChIInChI=1S/C14H14F2N2O/c15-14(16)5-7-18(8-6-14)13(19)12-9-10-3-1-2-4-11(10)17-12/h1-4,9,17H,5-8H2
InChIKeyIAJACKCNGPTFSL-UHFFFAOYSA-N
XLogP3.04
TPSA36.10 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds1
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500264.27
LogP ≤ 53.04
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

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Related Compounds

(4,4-dimethylpiperidin-1-yl)-(1H-indol-2-yl)methanone
CID 55155671
4-hydroxy-1-(1H-indole-2-carbonyl)piperidine-4-carboxylic acid
CID 119251399
4-(1H-indole-2-carbonyl)-N,N-dimethylpiperazine-1-carboxamide
CID 34224299
1H-indol-2-yl(morpholin-4-yl)methanone
CID 825286
1H-indol-2-yl(piperazin-1-yl)methanone;hydrochloride
CID 47003021
1H-indol-2-yl-(4-methylpiperazin-1-yl)methanone;hydrochloride
CID 134120748
1H-indol-2-yl-(1-oxo-1,4-thiazinan-4-yl)methanone
CID 54975611
[3-(4-fluorophenyl)-3-hydroxypyrrolidin-1-yl]-(1H-indol-2-yl)methanone
CID 138999905
(2R)-2-[4-(1H-indole-2-carbonyl)piperazin-1-yl]propanoic acid
CID 124691123
[5-(3-chloropropoxy)-1H-indol-2-yl]-(4,4-difluoropiperidin-1-yl)methanone
CID 69282953
(4-benzhydrylpiperazin-1-yl)-(1H-indol-2-yl)methanone
CID 4231166
furan-3-yl-[4-(1H-indole-2-carbonyl)piperazin-1-yl]methanone
CID 33018299

Frequently Asked Questions

What is the IUPAC name of (4,4-difluoropiperidin-1-yl)-(1H-indol-2-yl)methanone?
The IUPAC name of (4,4-difluoropiperidin-1-yl)-(1H-indol-2-yl)methanone (CID 68887703) is (4,4-difluoropiperidin-1-yl)-(1H-indol-2-yl)methanone.
What is the SMILES notation for (4,4-difluoropiperidin-1-yl)-(1H-indol-2-yl)methanone?
The canonical SMILES for (4,4-difluoropiperidin-1-yl)-(1H-indol-2-yl)methanone is O=C(c1cc2ccccc2[nH]1)N1CCC(F)(F)CC1.
What is the InChIKey of (4,4-difluoropiperidin-1-yl)-(1H-indol-2-yl)methanone?
The InChIKey is IAJACKCNGPTFSL-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H14F2N2O/c15-14(16)5-7-18(8-6-14)13(19)12-9-10-3-1-2-4-11(10)17-12/h1-4,9,17H,5-8H2.
What are the key properties of (4,4-difluoropiperidin-1-yl)-(1H-indol-2-yl)methanone?
(4,4-difluoropiperidin-1-yl)-(1H-indol-2-yl)methanone has a molecular weight of 264.27 g/mol, XLogP of 3.04, 1 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for (4,4-difluoropiperidin-1-yl)-(1H-indol-2-yl)methanone is sourced from PubChem (CID 68887703), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).