(3,4-difluorophenyl)-[4-(1H-indol-3-ylmethyl)piperidin-1-yl]methanone

C21H20F2N2O — CID 113086552

IUPAC(3,4-difluorophenyl)-[4-(1H-indol-3-ylmethyl)piperidin-1-yl]methanone
SMILESO=C(c1ccc(F)c(F)c1)N1CCC(Cc2c[nH]c3ccccc23)CC1
InChIInChI=1S/C21H20F2N2O/c22-18-6-5-15(12-19(18)23)21(26)25-9-7-14(8-10-25)11-16-13-24-20-4-2-1-3-17(16)20/h1-6,12-14,24H,7-11H2
InChIKeyFUSLGZOVTPVSMD-UHFFFAOYSA-N
MW354.40 g/mol
LogP4.54
Rot. Bonds3

About (3,4-difluorophenyl)-[4-(1H-indol-3-ylmethyl)piperidin-1-yl]methanone

(3,4-difluorophenyl)-[4-(1H-indol-3-ylmethyl)piperidin-1-yl]methanone (PubChem CID 113086552) has the molecular formula C21H20F2N2O and a molecular weight of 354.40 g/mol. Its IUPAC name is (3,4-difluorophenyl)-[4-(1H-indol-3-ylmethyl)piperidin-1-yl]methanone.

Molecular Properties

Compound Name(3,4-difluorophenyl)-[4-(1H-indol-3-ylmethyl)piperidin-1-yl]methanone
PubChem CID113086552
Molecular FormulaC21H20F2N2O
Molecular Weight354.40 g/mol
Exact Mass354.15
IUPAC Name(3,4-difluorophenyl)-[4-(1H-indol-3-ylmethyl)piperidin-1-yl]methanone
SMILESO=C(c1ccc(F)c(F)c1)N1CCC(Cc2c[nH]c3ccccc23)CC1
InChIInChI=1S/C21H20F2N2O/c22-18-6-5-15(12-19(18)23)21(26)25-9-7-14(8-10-25)11-16-13-24-20-4-2-1-3-17(16)20/h1-6,12-14,24H,7-11H2
InChIKeyFUSLGZOVTPVSMD-UHFFFAOYSA-N
XLogP4.54
TPSA36.10 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds3
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500354.40
LogP ≤ 54.54
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

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Related Compounds

(2-chlorophenyl)-[4-(1H-indol-3-ylmethyl)piperidin-1-yl]methanone
CID 113086545
(2,6-dimethoxyphenyl)-[4-(1H-indol-3-ylmethyl)piperidin-1-yl]methanone
CID 113086533
(3,4-difluorophenyl)-[4-(thiophen-2-ylmethyl)piperidin-1-yl]methanone
CID 110289472
(4-benzylpiperidin-1-yl)-[3-(2-piperazin-1-ylethyl)-1H-indol-5-yl]methanone
CID 141125371
2-[5-[4-[(4-fluorophenyl)methyl]piperidine-1-carbonyl]-1H-indol-3-yl]-2-oxoacetic acid
CID 10309796
1-[5-(4-benzylpiperidine-1-carbonyl)-1H-indol-3-yl]propane-1,2-dione
CID 138530082
(3-chlorophenyl)-[2-(1H-indol-3-ylmethyl)pyrrolidin-1-yl]methanone
CID 113086444
(3,4-difluorophenyl)-[4-(3-methyl-1H-indole-2-carbonyl)piperazin-1-yl]methanone
CID 53013289
1-[4-(aminomethyl)piperidin-1-yl]-2-(1H-indol-3-yl)ethanone
CID 28706781
[2-(1H-indol-3-ylmethyl)pyrrolidin-1-yl]-phenylmethanone
CID 113086415
(3,4-difluorophenyl)-[4-(naphthalen-1-ylmethyl)piperazin-4-ium-1-yl]methanone
CID 9397338
(4-benzylpiperidin-1-yl)-[3-fluoro-4-(trifluoromethyl)phenyl]methanone
CID 46086895

Frequently Asked Questions

What is the IUPAC name of (3,4-difluorophenyl)-[4-(1H-indol-3-ylmethyl)piperidin-1-yl]methanone?
The IUPAC name of (3,4-difluorophenyl)-[4-(1H-indol-3-ylmethyl)piperidin-1-yl]methanone (CID 113086552) is (3,4-difluorophenyl)-[4-(1H-indol-3-ylmethyl)piperidin-1-yl]methanone.
What is the SMILES notation for (3,4-difluorophenyl)-[4-(1H-indol-3-ylmethyl)piperidin-1-yl]methanone?
The canonical SMILES for (3,4-difluorophenyl)-[4-(1H-indol-3-ylmethyl)piperidin-1-yl]methanone is O=C(c1ccc(F)c(F)c1)N1CCC(Cc2c[nH]c3ccccc23)CC1.
What is the InChIKey of (3,4-difluorophenyl)-[4-(1H-indol-3-ylmethyl)piperidin-1-yl]methanone?
The InChIKey is FUSLGZOVTPVSMD-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H20F2N2O/c22-18-6-5-15(12-19(18)23)21(26)25-9-7-14(8-10-25)11-16-13-24-20-4-2-1-3-17(16)20/h1-6,12-14,24H,7-11H2.
What are the key properties of (3,4-difluorophenyl)-[4-(1H-indol-3-ylmethyl)piperidin-1-yl]methanone?
(3,4-difluorophenyl)-[4-(1H-indol-3-ylmethyl)piperidin-1-yl]methanone has a molecular weight of 354.40 g/mol, XLogP of 4.54, 3 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for (3,4-difluorophenyl)-[4-(1H-indol-3-ylmethyl)piperidin-1-yl]methanone is sourced from PubChem (CID 113086552), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).