(5-chloro-1H-indol-2-yl)-[4-[(2-fluoro-4-methylphenyl)methyl]piperazin-1-yl]methanone

C21H21ClFN3O — CID 122434958

IUPAC(5-chloro-1H-indol-2-yl)-[4-[(2-fluoro-4-methylphenyl)methyl]piperazin-1-yl]methanone
SMILESCc1ccc(CN2CCN(C(=O)c3cc4cc(Cl)ccc4[nH]3)CC2)c(F)c1
InChIInChI=1S/C21H21ClFN3O/c1-14-2-3-15(18(23)10-14)13-25-6-8-26(9-7-25)21(27)20-12-16-11-17(22)4-5-19(16)24-20/h2-5,10-12,24H,6-9,13H2,1H3
InChIKeyQGYSWVBHNJDBNM-UHFFFAOYSA-N
MW385.87 g/mol
LogP4.23
Rot. Bonds3

About (5-chloro-1H-indol-2-yl)-[4-[(2-fluoro-4-methylphenyl)methyl]piperazin-1-yl]methanone

(5-chloro-1H-indol-2-yl)-[4-[(2-fluoro-4-methylphenyl)methyl]piperazin-1-yl]methanone (PubChem CID 122434958) has the molecular formula C21H21ClFN3O and a molecular weight of 385.87 g/mol. Its IUPAC name is (5-chloro-1H-indol-2-yl)-[4-[(2-fluoro-4-methylphenyl)methyl]piperazin-1-yl]methanone.

Molecular Properties

Compound Name(5-chloro-1H-indol-2-yl)-[4-[(2-fluoro-4-methylphenyl)methyl]piperazin-1-yl]methanone
PubChem CID122434958
Molecular FormulaC21H21ClFN3O
Molecular Weight385.87 g/mol
Exact Mass385.14
IUPAC Name(5-chloro-1H-indol-2-yl)-[4-[(2-fluoro-4-methylphenyl)methyl]piperazin-1-yl]methanone
SMILESCc1ccc(CN2CCN(C(=O)c3cc4cc(Cl)ccc4[nH]3)CC2)c(F)c1
InChIInChI=1S/C21H21ClFN3O/c1-14-2-3-15(18(23)10-14)13-25-6-8-26(9-7-25)21(27)20-12-16-11-17(22)4-5-19(16)24-20/h2-5,10-12,24H,6-9,13H2,1H3
InChIKeyQGYSWVBHNJDBNM-UHFFFAOYSA-N
XLogP4.23
TPSA39.34 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500385.87
LogP ≤ 54.23
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

(5-methyl-1H-indol-2-yl)-[4-[(4-methylphenyl)methyl]piperazin-1-yl]methanone
CID 122434949
(5-chloro-1H-indol-2-yl)-[4-(2-methylpropyl)piperazin-1-yl]methanone
CID 134034136
(5-chloro-1H-indol-2-yl)-pyrrolidin-1-ylmethanone
CID 3661150
[4-[[3-(4-chlorophenyl)-1,2,4-oxadiazol-5-yl]methyl]piperazin-1-yl]-(5-fluoro-1H-indol-2-yl)methanone
CID 39586413
(5-chloro-1H-indol-2-yl)-[4-(5-methyl-1,2-benzothiazole-3-carbonyl)piperazin-1-yl]methanone
CID 53006023
N-[3-[[4-(5-chloro-1H-indole-2-carbonyl)piperazin-1-yl]methyl]phenyl]-N-(4-fluorophenyl)formamide
CID 122421179
[4-(5-chloro-1H-indole-2-carbonyl)-1,4-diazepan-1-yl]-(2-fluorophenyl)methanone
CID 78850390
2-[2-[4-(5-chloro-1H-indole-2-carbonyl)piperazin-1-yl]ethyl]pyridazin-3-one
CID 126913336
[4-(5-chloro-1H-indole-2-carbonyl)piperazin-1-yl]-naphthalen-1-ylmethanone
CID 46579208
6-tert-butyl-2-[2-[4-(5-chloro-1H-indole-2-carbonyl)piperazin-1-yl]ethyl]pyridazin-3-one
CID 126913975
(5-fluoro-1H-indol-2-yl)-[4-(2-methylpropyl)piperazin-1-yl]methanone
CID 134034137
(5-methyl-1H-indol-2-yl)-morpholin-4-ylmethanone
CID 4210929

Frequently Asked Questions

What is the IUPAC name of (5-chloro-1H-indol-2-yl)-[4-[(2-fluoro-4-methylphenyl)methyl]piperazin-1-yl]methanone?
The IUPAC name of (5-chloro-1H-indol-2-yl)-[4-[(2-fluoro-4-methylphenyl)methyl]piperazin-1-yl]methanone (CID 122434958) is (5-chloro-1H-indol-2-yl)-[4-[(2-fluoro-4-methylphenyl)methyl]piperazin-1-yl]methanone.
What is the SMILES notation for (5-chloro-1H-indol-2-yl)-[4-[(2-fluoro-4-methylphenyl)methyl]piperazin-1-yl]methanone?
The canonical SMILES for (5-chloro-1H-indol-2-yl)-[4-[(2-fluoro-4-methylphenyl)methyl]piperazin-1-yl]methanone is Cc1ccc(CN2CCN(C(=O)c3cc4cc(Cl)ccc4[nH]3)CC2)c(F)c1.
What is the InChIKey of (5-chloro-1H-indol-2-yl)-[4-[(2-fluoro-4-methylphenyl)methyl]piperazin-1-yl]methanone?
The InChIKey is QGYSWVBHNJDBNM-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H21ClFN3O/c1-14-2-3-15(18(23)10-14)13-25-6-8-26(9-7-25)21(27)20-12-16-11-17(22)4-5-19(16)24-20/h2-5,10-12,24H,6-9,13H2,1H3.
What are the key properties of (5-chloro-1H-indol-2-yl)-[4-[(2-fluoro-4-methylphenyl)methyl]piperazin-1-yl]methanone?
(5-chloro-1H-indol-2-yl)-[4-[(2-fluoro-4-methylphenyl)methyl]piperazin-1-yl]methanone has a molecular weight of 385.87 g/mol, XLogP of 4.23, 3 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (5-chloro-1H-indol-2-yl)-[4-[(2-fluoro-4-methylphenyl)methyl]piperazin-1-yl]methanone is sourced from PubChem (CID 122434958), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).