(5-fluoro-1H-indol-2-yl)-(4-phenylpiperidin-1-yl)methanone

C20H19FN2O — CID 39581642

IUPAC(5-fluoro-1H-indol-2-yl)-(4-phenylpiperidin-1-yl)methanone
SMILESO=C(c1cc2cc(F)ccc2[nH]1)N1CCC(c2ccccc2)CC1
InChIInChI=1S/C20H19FN2O/c21-17-6-7-18-16(12-17)13-19(22-18)20(24)23-10-8-15(9-11-23)14-4-2-1-3-5-14/h1-7,12-13,15,22H,8-11H2
InChIKeySDBKQDLDYTVRGT-UHFFFAOYSA-N
MW322.38 g/mol
LogP4.33
Rot. Bonds2

About (5-fluoro-1H-indol-2-yl)-(4-phenylpiperidin-1-yl)methanone

(5-fluoro-1H-indol-2-yl)-(4-phenylpiperidin-1-yl)methanone (PubChem CID 39581642) has the molecular formula C20H19FN2O and a molecular weight of 322.38 g/mol. Its IUPAC name is (5-fluoro-1H-indol-2-yl)-(4-phenylpiperidin-1-yl)methanone.

Molecular Properties

Compound Name(5-fluoro-1H-indol-2-yl)-(4-phenylpiperidin-1-yl)methanone
PubChem CID39581642
Molecular FormulaC20H19FN2O
Molecular Weight322.38 g/mol
Exact Mass322.15
IUPAC Name(5-fluoro-1H-indol-2-yl)-(4-phenylpiperidin-1-yl)methanone
SMILESO=C(c1cc2cc(F)ccc2[nH]1)N1CCC(c2ccccc2)CC1
InChIInChI=1S/C20H19FN2O/c21-17-6-7-18-16(12-17)13-19(22-18)20(24)23-10-8-15(9-11-23)14-4-2-1-3-5-14/h1-7,12-13,15,22H,8-11H2
InChIKeySDBKQDLDYTVRGT-UHFFFAOYSA-N
XLogP4.33
TPSA36.10 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds2
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500322.38
LogP ≤ 54.33
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

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Related Compounds

(5-fluoro-1H-indol-2-yl)-[(3R)-3-(methylamino)pyrrolidin-1-yl]methanone
CID 24764568
[4-(5-fluoro-1H-indol-2-yl)piperidin-1-yl]-(4-fluorophenyl)methanone
CID 113088126
2-[3-[1-(1H-indole-2-carbonyl)piperidin-4-yl]phenoxy]acetic acid
CID 22399450
(5-fluoro-1H-indol-2-yl)-[4-(5-isoquinolin-1-yl-1,3,4-oxadiazol-2-yl)piperidin-1-yl]methanone
CID 92576782
3-[1-(5-fluoro-1H-indole-2-carbonyl)pyrrolidin-3-yl]-N-propan-2-yl-1-benzothiophene-2-carboxamide
CID 110089095
(4,6-dimethyl-1H-indol-2-yl)-(4-phenylpiperidin-1-yl)methanone
CID 39581120
(5-fluoro-1H-indol-2-yl)-[4-(2-methylpropyl)piperazin-1-yl]methanone
CID 134034137
2-[4-(5-fluoro-1H-indole-2-carbonyl)morpholin-2-yl]acetic acid
CID 119248354
(2,6-dimethylmorpholin-4-yl)-(5-fluoro-1H-indol-2-yl)methanone
CID 4905053
(5-fluoro-1H-indol-2-yl)-[(3R)-3-[6-methyl-4-(methylamino)-2-pyridinyl]pyrrolidin-1-yl]methanone
CID 124982715
1-(5-fluoro-1H-indole-2-carbonyl)-4-pyrazol-1-ylpiperidine-4-carboxylic acid
CID 56904889
[4-[(dimethylamino)methyl]-4-hydroxyazepan-1-yl]-(5-fluoro-1H-indol-2-yl)methanone
CID 56886344

Frequently Asked Questions

What is the IUPAC name of (5-fluoro-1H-indol-2-yl)-(4-phenylpiperidin-1-yl)methanone?
The IUPAC name of (5-fluoro-1H-indol-2-yl)-(4-phenylpiperidin-1-yl)methanone (CID 39581642) is (5-fluoro-1H-indol-2-yl)-(4-phenylpiperidin-1-yl)methanone.
What is the SMILES notation for (5-fluoro-1H-indol-2-yl)-(4-phenylpiperidin-1-yl)methanone?
The canonical SMILES for (5-fluoro-1H-indol-2-yl)-(4-phenylpiperidin-1-yl)methanone is O=C(c1cc2cc(F)ccc2[nH]1)N1CCC(c2ccccc2)CC1.
What is the InChIKey of (5-fluoro-1H-indol-2-yl)-(4-phenylpiperidin-1-yl)methanone?
The InChIKey is SDBKQDLDYTVRGT-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H19FN2O/c21-17-6-7-18-16(12-17)13-19(22-18)20(24)23-10-8-15(9-11-23)14-4-2-1-3-5-14/h1-7,12-13,15,22H,8-11H2.
What are the key properties of (5-fluoro-1H-indol-2-yl)-(4-phenylpiperidin-1-yl)methanone?
(5-fluoro-1H-indol-2-yl)-(4-phenylpiperidin-1-yl)methanone has a molecular weight of 322.38 g/mol, XLogP of 4.33, 2 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for (5-fluoro-1H-indol-2-yl)-(4-phenylpiperidin-1-yl)methanone is sourced from PubChem (CID 39581642), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).