(4-fluorophenyl)-[1-(5-hydroxy-1-methylindole-2-carbonyl)piperidin-4-yl]methanone

C22H21FN2O3 — CID 67845178

IUPAC(4-fluorophenyl)-[1-(5-hydroxy-1-methylindole-2-carbonyl)piperidin-4-yl]methanone
SMILESCn1c(C(=O)N2CCC(C(=O)c3ccc(F)cc3)CC2)cc2cc(O)ccc21
InChIInChI=1S/C22H21FN2O3/c1-24-19-7-6-18(26)12-16(19)13-20(24)22(28)25-10-8-15(9-11-25)21(27)14-2-4-17(23)5-3-14/h2-7,12-13,15,26H,8-11H2,1H3
InChIKeyVPPFMFRFMBKYHW-UHFFFAOYSA-N
MW380.42 g/mol
LogP3.76
Rot. Bonds3

About (4-fluorophenyl)-[1-(5-hydroxy-1-methylindole-2-carbonyl)piperidin-4-yl]methanone

(4-fluorophenyl)-[1-(5-hydroxy-1-methylindole-2-carbonyl)piperidin-4-yl]methanone (PubChem CID 67845178) has the molecular formula C22H21FN2O3 and a molecular weight of 380.42 g/mol. Its IUPAC name is (4-fluorophenyl)-[1-(5-hydroxy-1-methylindole-2-carbonyl)piperidin-4-yl]methanone.

Molecular Properties

Compound Name(4-fluorophenyl)-[1-(5-hydroxy-1-methylindole-2-carbonyl)piperidin-4-yl]methanone
PubChem CID67845178
Molecular FormulaC22H21FN2O3
Molecular Weight380.42 g/mol
Exact Mass380.15
IUPAC Name(4-fluorophenyl)-[1-(5-hydroxy-1-methylindole-2-carbonyl)piperidin-4-yl]methanone
SMILESCn1c(C(=O)N2CCC(C(=O)c3ccc(F)cc3)CC2)cc2cc(O)ccc21
InChIInChI=1S/C22H21FN2O3/c1-24-19-7-6-18(26)12-16(19)13-20(24)22(28)25-10-8-15(9-11-25)21(27)14-2-4-17(23)5-3-14/h2-7,12-13,15,26H,8-11H2,1H3
InChIKeyVPPFMFRFMBKYHW-UHFFFAOYSA-N
XLogP3.76
TPSA62.54 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500380.42
LogP ≤ 53.76
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

(5-fluoro-1-methylindol-2-yl)-[(1S,6R)-7-oxa-3-azabicyclo[4.1.0]heptan-3-yl]methanone
CID 97181355
[4-(4-fluorophenyl)sulfanylphenyl]-[1-(3-hydroxybenzoyl)piperidin-4-yl]methanone
CID 164615358
[1-(3-fluorobenzoyl)piperidin-4-yl]-(4-fluorophenyl)methanone
CID 1438163
1-[2-[1-(5-fluoro-1-methylindole-2-carbonyl)piperidin-4-yl]ethyl]pyrrolidin-2-one
CID 70762197
(1,5-dimethylindol-2-yl)-pyrrolidin-1-ylmethanone
CID 7329070
[1-(4-fluoro-2-hydroxybenzoyl)piperidin-4-yl]-phenylmethanone
CID 136517088
(4-hydroxyphenyl)-[1-(1H-indole-6-carbonyl)piperidin-4-yl]methanone
CID 75403252
(4-chlorophenyl)-[1-(3-fluoro-5-hydroxybenzoyl)piperidin-4-yl]methanone
CID 155569023
3-[2-[4-(4-fluorobenzoyl)piperidin-1-yl]ethyl]-6-hydroxy-1,3-benzothiazol-2-one
CID 19437850
1-[4-(6-fluoro-1-methylindole-2-carbonyl)piperazin-1-yl]ethanone
CID 110850299
[1-(2-chloro-5-hydroxybenzoyl)piperidin-4-yl]-(4-chlorophenyl)methanone
CID 155533081
[1-(2,4-dimethoxybenzoyl)piperidin-4-yl]-(4-fluorophenyl)methanone
CID 46906356

Frequently Asked Questions

What is the IUPAC name of (4-fluorophenyl)-[1-(5-hydroxy-1-methylindole-2-carbonyl)piperidin-4-yl]methanone?
The IUPAC name of (4-fluorophenyl)-[1-(5-hydroxy-1-methylindole-2-carbonyl)piperidin-4-yl]methanone (CID 67845178) is (4-fluorophenyl)-[1-(5-hydroxy-1-methylindole-2-carbonyl)piperidin-4-yl]methanone.
What is the SMILES notation for (4-fluorophenyl)-[1-(5-hydroxy-1-methylindole-2-carbonyl)piperidin-4-yl]methanone?
The canonical SMILES for (4-fluorophenyl)-[1-(5-hydroxy-1-methylindole-2-carbonyl)piperidin-4-yl]methanone is Cn1c(C(=O)N2CCC(C(=O)c3ccc(F)cc3)CC2)cc2cc(O)ccc21.
What is the InChIKey of (4-fluorophenyl)-[1-(5-hydroxy-1-methylindole-2-carbonyl)piperidin-4-yl]methanone?
The InChIKey is VPPFMFRFMBKYHW-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H21FN2O3/c1-24-19-7-6-18(26)12-16(19)13-20(24)22(28)25-10-8-15(9-11-25)21(27)14-2-4-17(23)5-3-14/h2-7,12-13,15,26H,8-11H2,1H3.
What are the key properties of (4-fluorophenyl)-[1-(5-hydroxy-1-methylindole-2-carbonyl)piperidin-4-yl]methanone?
(4-fluorophenyl)-[1-(5-hydroxy-1-methylindole-2-carbonyl)piperidin-4-yl]methanone has a molecular weight of 380.42 g/mol, XLogP of 3.76, 3 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (4-fluorophenyl)-[1-(5-hydroxy-1-methylindole-2-carbonyl)piperidin-4-yl]methanone is sourced from PubChem (CID 67845178), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).