(4,4-difluoropiperidin-1-yl)-(1,7-dimethylindol-2-yl)methanone

C16H18F2N2O — CID 72848626

IUPAC(4,4-difluoropiperidin-1-yl)-(1,7-dimethylindol-2-yl)methanone
SMILESCc1cccc2cc(C(=O)N3CCC(F)(F)CC3)n(C)c12
InChIInChI=1S/C16H18F2N2O/c1-11-4-3-5-12-10-13(19(2)14(11)12)15(21)20-8-6-16(17,18)7-9-20/h3-5,10H,6-9H2,1-2H3
InChIKeyGHOQREWAOVGOFT-UHFFFAOYSA-N
MW292.33 g/mol
LogP3.36
Rot. Bonds1

About (4,4-difluoropiperidin-1-yl)-(1,7-dimethylindol-2-yl)methanone

(4,4-difluoropiperidin-1-yl)-(1,7-dimethylindol-2-yl)methanone (PubChem CID 72848626) has the molecular formula C16H18F2N2O and a molecular weight of 292.33 g/mol. Its IUPAC name is (4,4-difluoropiperidin-1-yl)-(1,7-dimethylindol-2-yl)methanone.

Molecular Properties

Compound Name(4,4-difluoropiperidin-1-yl)-(1,7-dimethylindol-2-yl)methanone
PubChem CID72848626
Molecular FormulaC16H18F2N2O
Molecular Weight292.33 g/mol
Exact Mass292.14
IUPAC Name(4,4-difluoropiperidin-1-yl)-(1,7-dimethylindol-2-yl)methanone
SMILESCc1cccc2cc(C(=O)N3CCC(F)(F)CC3)n(C)c12
InChIInChI=1S/C16H18F2N2O/c1-11-4-3-5-12-10-13(19(2)14(11)12)15(21)20-8-6-16(17,18)7-9-20/h3-5,10H,6-9H2,1-2H3
InChIKeyGHOQREWAOVGOFT-UHFFFAOYSA-N
XLogP3.36
TPSA25.24 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500292.33
LogP ≤ 53.36
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Related Compounds

(1,7-dimethylindol-2-yl)-[(3R,4R)-3-fluoro-4-hydroxypyrrolidin-1-yl]methanone
CID 131928377
(1,7-dimethylindol-2-yl)-[4-(1H-1,2,4-triazol-5-yl)piperazin-1-yl]methanone
CID 118763779
(7-chloro-1-methylindol-2-yl)-(4-methylpiperazin-1-yl)methanone
CID 110849758
3-[(3R)-1-(1,7-dimethylindole-2-carbonyl)piperidin-3-yl]benzoic acid
CID 97190753
(1,7-dimethylindol-2-yl)-[2-(piperidin-1-ylmethyl)-1,4-oxazepan-4-yl]methanone
CID 72888830
2-[(1,7-dimethylindole-2-carbonyl)amino]acetic acid
CID 110835889
(4,4-difluoropiperidin-1-yl)-(2,6-dimethyl-4-pyridinyl)methanone
CID 77094058
ethyl 4-(7-chloro-1-methylindole-2-carbonyl)piperazine-1-carboxylate
CID 110853989
(1,5-dimethylindol-2-yl)-pyrrolidin-1-ylmethanone
CID 7329070
1,7-dimethyl-N-[(3-pyrrolidin-1-ylphenyl)methyl]indole-2-carboxamide
CID 72880637
[(3aR,5R,6R,7aS)-5-hydroxy-6-(2-methoxyphenoxy)-1,3,3a,4,5,6,7,7a-octahydroisoindol-2-yl]-(1,7-dimethylindol-2-yl)methanone
CID 172673171
(1,7-dimethylindol-2-yl)-[(3S)-3-[1-(2-methoxyethyl)imidazol-2-yl]piperidin-1-yl]methanone
CID 97148687

Frequently Asked Questions

What is the IUPAC name of (4,4-difluoropiperidin-1-yl)-(1,7-dimethylindol-2-yl)methanone?
The IUPAC name of (4,4-difluoropiperidin-1-yl)-(1,7-dimethylindol-2-yl)methanone (CID 72848626) is (4,4-difluoropiperidin-1-yl)-(1,7-dimethylindol-2-yl)methanone.
What is the SMILES notation for (4,4-difluoropiperidin-1-yl)-(1,7-dimethylindol-2-yl)methanone?
The canonical SMILES for (4,4-difluoropiperidin-1-yl)-(1,7-dimethylindol-2-yl)methanone is Cc1cccc2cc(C(=O)N3CCC(F)(F)CC3)n(C)c12.
What is the InChIKey of (4,4-difluoropiperidin-1-yl)-(1,7-dimethylindol-2-yl)methanone?
The InChIKey is GHOQREWAOVGOFT-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H18F2N2O/c1-11-4-3-5-12-10-13(19(2)14(11)12)15(21)20-8-6-16(17,18)7-9-20/h3-5,10H,6-9H2,1-2H3.
What are the key properties of (4,4-difluoropiperidin-1-yl)-(1,7-dimethylindol-2-yl)methanone?
(4,4-difluoropiperidin-1-yl)-(1,7-dimethylindol-2-yl)methanone has a molecular weight of 292.33 g/mol, XLogP of 3.36, 1 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (4,4-difluoropiperidin-1-yl)-(1,7-dimethylindol-2-yl)methanone is sourced from PubChem (CID 72848626), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).